 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer08_STD_B3LYPDBJ_augccpVDZ.in
 Output=30_ibuprofen_conformer08_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-27611.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     27624.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer08_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer08_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.659259000000     -0.321312000000     -1.242193000000
  C                                                 1.490963000000     -0.745946000000     -0.207237000000
  C                                                -0.718090000000     -0.258894000000     -1.081887000000
  C                                                -1.309776000000     -0.623337000000      0.126200000000
  C                                                -0.482719000000     -1.046352000000      1.164346000000
  C                                                 0.893763000000     -1.109729000000      0.998704000000
  C                                                 2.987238000000     -0.775646000000     -0.362525000000
  C                                                 3.710480000000      0.390606000000      0.339713000000
  C                                                 3.287383000000      1.743851000000     -0.228396000000
  C                                                 5.224362000000      0.205410000000      0.249886000000
  C                                                -2.815068000000     -0.572574000000      0.328715000000
  C                                                -3.274676000000      0.873485000000      0.381112000000
  O                                                -3.494906000000      1.491243000000      1.389409000000
  O                                                -3.402223000000      1.428965000000     -0.848305000000
  H                                                 1.098199000000     -0.031355000000     -2.189320000000
  H                                                -1.334062000000      0.086297000000     -1.901266000000
  H                                                -0.922428000000     -1.331954000000      2.112188000000
  H                                                 1.513624000000     -1.448846000000      1.820517000000
  H                                                 3.246499000000     -0.759051000000     -1.425314000000
  H                                                 3.374941000000     -1.715698000000      0.040233000000
  H                                                 3.424573000000      0.363197000000      1.397105000000
  H                                                 2.212629000000      1.900857000000     -0.133760000000
  H                                                 3.544429000000      1.813495000000     -1.289511000000
  H                                                 3.795064000000      2.559094000000      0.290594000000
  H                                                 5.554471000000      0.218287000000     -0.792668000000
  H                                                 5.536289000000     -0.745777000000      0.686569000000
  H                                                 5.750693000000      1.005637000000      0.773849000000
  H                                                -3.026818000000     -0.959937000000      1.324718000000
  C                                                -3.586088000000     -1.398877000000     -0.707092000000
  H                                                -3.660581000000      2.353748000000     -0.711548000000
  H                                                -3.405320000000     -1.038742000000     -1.718004000000
  H                                                -4.660002000000     -1.355147000000     -0.518665000000
  H                                                -3.267355000000     -2.439875000000     -0.650623000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.659259   -0.321312   -1.242193
      2          6           0        1.490963   -0.745946   -0.207237
      3          6           0       -0.718090   -0.258894   -1.081887
      4          6           0       -1.309776   -0.623337    0.126200
      5          6           0       -0.482719   -1.046352    1.164346
      6          6           0        0.893763   -1.109729    0.998704
      7          6           0        2.987238   -0.775646   -0.362525
      8          6           0        3.710480    0.390606    0.339713
      9          6           0        3.287383    1.743851   -0.228396
     10          6           0        5.224362    0.205410    0.249886
     11          6           0       -2.815068   -0.572574    0.328715
     12          6           0       -3.274676    0.873485    0.381112
     13          8           0       -3.494906    1.491243    1.389409
     14          8           0       -3.402223    1.428965   -0.848305
     15          1           0        1.098199   -0.031355   -2.189320
     16          1           0       -1.334062    0.086297   -1.901266
     17          1           0       -0.922428   -1.331954    2.112188
     18          1           0        1.513624   -1.448846    1.820517
     19          1           0        3.246499   -0.759051   -1.425314
     20          1           0        3.374941   -1.715698    0.040233
     21          1           0        3.424573    0.363197    1.397105
     22          1           0        2.212629    1.900857   -0.133760
     23          1           0        3.544429    1.813495   -1.289511
     24          1           0        3.795064    2.559094    0.290594
     25          1           0        5.554471    0.218287   -0.792668
     26          1           0        5.536289   -0.745777    0.686569
     27          1           0        5.750693    1.005637    0.773849
     28          1           0       -3.026818   -0.959937    1.324718
     29          6           0       -3.586088   -1.398877   -0.707092
     30          1           0       -3.660581    2.353748   -0.711548
     31          1           0       -3.405320   -1.038742   -1.718004
     32          1           0       -4.660002   -1.355147   -0.518665
     33          1           0       -3.267355   -2.439875   -0.650623
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.393980   0.000000
     3  C    1.388051   2.425314   0.000000
     4  C    2.416778   2.823181   1.393695   0.000000
     5  C    2.760657   2.422169   2.391872   1.393094   0.000000
     6  C    2.387093   1.394016   2.766017   2.419385   1.387860
     7  C    2.529767   1.504605   3.809720   4.327399   3.800687
     8  C    3.509872   2.552873   4.696278   5.126074   4.508635
     9  C    3.492810   3.070287   4.558865   5.182971   4.892712
    10  C    4.831553   3.879730   6.107531   6.587646   5.913875
    11  C    3.821234   4.342719   2.546666   1.519702   2.522419
    12  C    4.420238   5.067546   3.155754   2.483201   3.477679
    13  O    5.240970   5.693258   4.108648   3.292710   3.945036
    14  O    4.440074   5.393002   3.179308   3.088679   4.324519
    15  H    1.083417   2.143258   2.139413   3.392701   3.844034
    16  H    2.138656   3.397518   1.081647   2.148206   3.377226
    17  H    3.843827   3.398175   3.375697   2.143904   1.083198
    18  H    3.373643   2.146245   3.849738   3.394667   2.139614
    19  H    2.630392   2.136771   4.010744   4.815107   4.549280
    20  H    3.311172   2.133315   4.487130   4.811155   4.073475
    21  H    3.883479   2.746445   4.867654   5.000251   4.160281
    22  H    2.929098   2.744406   3.761992   4.341252   4.199526
    23  H    3.589407   3.455254   4.744151   5.612993   5.515257
    24  H    4.525422   4.059557   5.494845   6.017830   5.662341
    25  H    4.945335   4.217176   6.297330   6.976427   6.471235
    26  H    5.261722   4.142892   6.517802   6.870052   6.045418
    27  H    5.634529   4.709127   6.847478   7.274835   6.574083
    28  H    4.536963   4.775251   3.407849   2.120844   2.550613
    29  C    4.412533   5.143211   3.108930   2.545080   3.641079
    30  H    5.108674   6.033311   3.952379   3.884732   5.017815
    31  H    4.154745   5.132420   2.869497   2.822225   4.104826
    32  H    5.466886   6.188900   4.130092   3.489328   4.514153
    33  H    4.500729   5.070264   3.382517   2.781255   3.604194
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.519364   0.000000
     8  C    3.258707   1.541545   0.000000
     9  C    3.921493   2.540855   1.527426   0.000000
    10  C    4.587418   2.518381   1.527811   2.519413   0.000000
    11  C    3.806947   5.846863   6.596258   6.551039   8.077370
    12  C    4.657300   6.517990   7.001949   6.647530   8.526265
    13  O    5.116456   7.087048   7.364160   6.977145   8.886929
    14  O    5.320893   6.776541   7.285610   6.725643   8.781861
    15  H    3.371673   2.731230   3.660338   3.433527   4.799063
    16  H    3.847533   4.667366   5.528290   5.186881   6.903229
    17  H    2.141910   4.660383   5.250973   5.715017   6.604141
    18  H    1.083792   2.718531   3.225297   4.187789   4.355803
    19  H    3.396205   1.094080   2.156921   2.774672   2.765578
    20  H    2.728023   1.093721   2.153785   3.471067   2.674877
    21  H    2.955204   2.141150   1.095706   2.137120   2.140152
    22  H    3.476422   2.795715   2.179127   1.090277   3.477393
    23  H    4.561491   2.805961   2.169460   1.094024   2.788881
    24  H    4.730669   3.492798   2.170693   1.091656   2.753975
    25  H    5.166705   2.786326   2.170779   2.790239   1.093644
    26  H    4.667219   2.756656   2.178360   3.477497   1.092130
    27  H    5.302368   3.478649   2.174674   2.759955   1.091753
    28  H    3.936963   6.248970   6.941569   7.042142   8.402099
    29  C    4.802334   6.611789   7.585378   7.573011   9.006307
    30  H    5.971824   7.355843   7.700105   6.991396   9.191405
    31  H    5.086026   6.539980   7.543994   7.399597   8.938228
    32  H    5.762547   7.670755   8.593569   8.535161  10.036267
    33  H    4.669526   6.478626   7.594904   7.787582   8.939670
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.518246   0.000000
    13  O    2.417973   1.202825   0.000000
    14  O    2.395054   1.355099   2.240498   0.000000
    15  H    4.684771   5.152465   6.018490   4.917790   0.000000
    16  H    2.756865   3.097563   4.179912   2.681189   2.452083
    17  H    2.709155   3.659734   3.887222   4.747270   4.927216
    18  H    4.661641   5.512978   5.823689   6.290466   4.273248
    19  H    6.313001   6.960896   7.644150   7.023237   2.393416
    20  H    6.301283   7.144052   7.700620   7.523853   3.604368
    21  H    6.399238   6.795040   7.010830   7.265182   4.293033
    22  H    5.622231   5.606345   5.921468   5.679773   3.033270
    23  H    6.982491   7.083417   7.538746   6.971262   3.193301
    24  H    7.314550   7.268473   7.449252   7.373956   4.487035
    25  H    8.481282   8.930895   9.395377   9.038319   4.676678
    26  H    8.360815   8.963728   9.330634   9.326432   5.336458
    27  H    8.721305   9.034876   9.278784   9.305185   5.612613
    28  H    1.089454   2.076839   2.496312   3.251125   5.497863
    29  C    1.533018   2.538660   3.571614   2.837329   5.099967
    30  H    3.218757   1.879896   2.277144   0.969884   5.524356
    31  H    2.180543   2.842528   4.008100   2.616479   4.638820
    32  H    2.175834   2.774081   3.619410   3.072776   6.140065
    33  H    2.156497   3.470286   4.434772   3.876234   5.217913
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276528   0.000000
    18  H    4.931293   2.456234   0.000000
    19  H    4.682166   5.497462   3.743540   0.000000
    20  H    5.402899   4.786192   2.589425   1.754850   0.000000
    21  H    5.796597   4.720307   2.667303   3.042565   2.483016
    22  H    4.358408   5.032289   3.940599   3.132429   3.802724
    23  H    5.211250   6.435699   4.943613   2.593299   3.775202
    24  H    6.101386   6.380689   4.858932   3.775626   4.302677
    25  H    6.978417   7.265787   5.092790   2.584988   3.030573
    26  H    7.388570   6.640107   4.238157   3.115022   2.455590
    27  H    7.628577   7.196251   5.007270   3.771131   3.686198
    28  H    3.790383   2.277490   4.593524   6.852557   6.572944
    29  C    2.950155   3.879163   5.691956   6.899961   7.008195
    30  H    3.459690   5.390303   6.902425   7.609647   8.162361
    31  H    2.364193   4.573959   6.073329   6.664127   7.037159
    32  H    3.879591   4.570709   6.602591   7.980608   8.062424
    33  H    3.418081   3.789366   5.472333   6.771677   6.717277
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.485308   0.000000
    23  H    3.055427   1.765526   0.000000
    24  H    2.486683   1.765631   1.765069   0.000000
    25  H    3.058197   3.799093   2.613773   3.122234   0.000000
    26  H    2.488781   4.327162   3.797667   3.756439   1.765755
    27  H    2.492391   3.760727   3.126930   2.543865   1.764199
    28  H    6.586074   6.145169   7.596539   7.745390   8.916841
    29  C    7.528739   6.696422   7.842373   8.434590   9.282907
    30  H    7.655594   5.918914   7.248316   7.525497   9.459596
    31  H    7.636542   6.535474   7.524485   8.296048   9.094736
    32  H    8.484293   7.614642   8.828770   9.352236  10.338580
    33  H    7.538720   7.009945   8.056037   8.703640   9.214696
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.766646   0.000000
    28  H    8.589523   9.011750   0.000000
    29  C    9.251302   9.754504   2.152604   0.000000
    30  H    9.805315   9.622676   3.940627   3.753367   0.000000
    31  H    9.263918   9.706770   3.067186   1.088263   3.547830
    32  H   10.285343  10.752975   2.494302   1.091196   3.846030
    33  H    9.064337   9.758374   2.479929   1.090163   4.810110
                   31         32         33
    31  H    0.000000
    32  H    1.764300   0.000000
    33  H    1.766780   1.770173   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.06D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.659259   -0.321312   -1.242193
      2          6           0        1.490963   -0.745946   -0.207237
      3          6           0       -0.718090   -0.258894   -1.081887
      4          6           0       -1.309776   -0.623337    0.126200
      5          6           0       -0.482719   -1.046352    1.164346
      6          6           0        0.893763   -1.109729    0.998704
      7          6           0        2.987238   -0.775646   -0.362525
      8          6           0        3.710480    0.390606    0.339713
      9          6           0        3.287383    1.743851   -0.228396
     10          6           0        5.224362    0.205410    0.249886
     11          6           0       -2.815068   -0.572574    0.328715
     12          6           0       -3.274676    0.873485    0.381112
     13          8           0       -3.494906    1.491243    1.389409
     14          8           0       -3.402223    1.428965   -0.848305
     15          1           0        1.098199   -0.031355   -2.189320
     16          1           0       -1.334062    0.086297   -1.901266
     17          1           0       -0.922428   -1.331954    2.112188
     18          1           0        1.513624   -1.448846    1.820517
     19          1           0        3.246499   -0.759051   -1.425314
     20          1           0        3.374941   -1.715698    0.040233
     21          1           0        3.424573    0.363197    1.397105
     22          1           0        2.212629    1.900857   -0.133760
     23          1           0        3.544429    1.813495   -1.289511
     24          1           0        3.795064    2.559094    0.290594
     25          1           0        5.554471    0.218287   -0.792668
     26          1           0        5.536289   -0.745777    0.686569
     27          1           0        5.750693    1.005637    0.773849
     28          1           0       -3.026818   -0.959937    1.324718
     29          6           0       -3.586088   -1.398877   -0.707092
     30          1           0       -3.660581    2.353748   -0.711548
     31          1           0       -3.405320   -1.038742   -1.718004
     32          1           0       -4.660002   -1.355147   -0.518665
     33          1           0       -3.267355   -2.439875   -0.650623
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3410822           0.2605989           0.2498493
 Leave Link  202 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       972.6785235907 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0618126251 Hartrees.
 Nuclear repulsion after empirical dispersion term =      972.6167109656 Hartrees.
 Leave Link  301 at Wed Sep  8 12:29:41 2021, MaxMem=  6442450944 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.12D-06  NBF=   507
 NBsUse=   506 1.00D-06 EigRej=  9.78D-07 NBFU=   506
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:               9.7 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer08_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:44 2021, MaxMem=  6442450944 cpu:              10.6 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 970000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.840085116952    
 DIIS: error= 1.68D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.840085116952     IErMin= 1 ErrMin= 1.68D-03
 ErrMax= 1.68D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.07D-03 BMatP= 7.07D-03
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.68D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.220 Goal=   None    Shift=    0.000
 GapD=    0.220 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.57D-02 MaxDP=1.15D+01              OVMax= 1.22D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.02D-02    CP:  2.33D+00
 E= -656.845894523576     Delta-E=       -0.005809406623 Rises=F Damp=F
 DIIS: error= 3.38D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.845894523576     IErMin= 2 ErrMin= 3.38D-04
 ErrMax= 3.38D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-04 BMatP= 7.07D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.38D-03
 Coeff-Com:  0.127D-01 0.987D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.126D-01 0.987D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=3.42D-03 MaxDP=4.39D-01 DE=-5.81D-03 OVMax= 4.23D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.65D-04    CP:  2.37D+00  1.04D+00
 E= -656.845780622668     Delta-E=        0.000113900908 Rises=F Damp=F
 DIIS: error= 5.49D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -656.845894523576     IErMin= 2 ErrMin= 3.38D-04
 ErrMax= 5.49D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.83D-04 BMatP= 1.20D-04
 IDIUse=3 WtCom= 2.99D-01 WtEn= 7.01D-01
 Coeff-Com: -0.777D-02 0.613D+00 0.394D+00
 Coeff-En:   0.000D+00 0.663D+00 0.337D+00
 Coeff:     -0.233D-02 0.648D+00 0.354D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=1.85D-04 MaxDP=1.76D-02 DE= 1.14D-04 OVMax= 3.16D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.03D-04    CP:  2.37D+00  1.04D+00  9.31D-01
 E= -656.845993204272     Delta-E=       -0.000212581604 Rises=F Damp=F
 DIIS: error= 6.08D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.845993204272     IErMin= 4 ErrMin= 6.08D-05
 ErrMax= 6.08D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.27D-06 BMatP= 1.20D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.522D-02 0.291D+00 0.172D+00 0.542D+00
 Coeff:     -0.522D-02 0.291D+00 0.172D+00 0.542D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=9.63D-05 MaxDP=1.04D-02 DE=-2.13D-04 OVMax= 7.76D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.43D-05    CP:  2.37D+00  1.04D+00  9.11D-01  1.19D+00
 E= -656.845996566908     Delta-E=       -0.000003362636 Rises=F Damp=F
 DIIS: error= 4.05D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.845996566908     IErMin= 5 ErrMin= 4.05D-05
 ErrMax= 4.05D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-06 BMatP= 5.27D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.180D-02 0.535D-01 0.291D-01 0.353D+00 0.566D+00
 Coeff:     -0.180D-02 0.535D-01 0.291D-01 0.353D+00 0.566D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=3.02D-05 MaxDP=2.61D-03 DE=-3.36D-06 OVMax= 3.51D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.46D-05    CP:  2.37D+00  1.04D+00  9.11D-01  1.20D+00  9.21D-01
 E= -656.845997709092     Delta-E=       -0.000001142184 Rises=F Damp=F
 DIIS: error= 7.23D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.845997709092     IErMin= 6 ErrMin= 7.23D-06
 ErrMax= 7.23D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.00D-07 BMatP= 1.56D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.552D-03 0.803D-02 0.443D-02 0.156D+00 0.315D+00 0.518D+00
 Coeff:     -0.552D-03 0.803D-02 0.443D-02 0.156D+00 0.315D+00 0.518D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=5.35D-06 MaxDP=4.37D-04 DE=-1.14D-06 OVMax= 7.92D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.85D-06    CP:  2.37D+00  1.04D+00  9.15D-01  1.19D+00  8.79D-01
                    CP:  9.86D-01
 E= -656.845997800233     Delta-E=       -0.000000091141 Rises=F Damp=F
 DIIS: error= 1.44D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.845997800233     IErMin= 7 ErrMin= 1.44D-06
 ErrMax= 1.44D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.41D-09 BMatP= 1.00D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.849D-04-0.131D-02-0.368D-03 0.352D-01 0.846D-01 0.225D+00
 Coeff-Com:  0.656D+00
 Coeff:     -0.849D-04-0.131D-02-0.368D-03 0.352D-01 0.846D-01 0.225D+00
 Coeff:      0.656D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=1.71D-06 MaxDP=9.49D-05 DE=-9.11D-08 OVMax= 3.22D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.26D-06    CP:  2.37D+00  1.04D+00  9.16D-01  1.19D+00  8.87D-01
                    CP:  9.93D-01  7.78D-01
 E= -656.845997803554     Delta-E=       -0.000000003322 Rises=F Damp=F
 DIIS: error= 9.24D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.845997803554     IErMin= 8 ErrMin= 9.24D-07
 ErrMax= 9.24D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-09 BMatP= 4.41D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.187D-04-0.119D-02-0.415D-03 0.110D-01 0.299D-01 0.100D+00
 Coeff-Com:  0.395D+00 0.466D+00
 Coeff:     -0.187D-04-0.119D-02-0.415D-03 0.110D-01 0.299D-01 0.100D+00
 Coeff:      0.395D+00 0.466D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=6.18D-07 MaxDP=3.24D-05 DE=-3.32D-09 OVMax= 1.59D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.32D-07    CP:  2.37D+00  1.04D+00  9.16D-01  1.19D+00  8.89D-01
                    CP:  9.82D-01  8.52D-01  8.52D-01
 E= -656.845997804741     Delta-E=       -0.000000001187 Rises=F Damp=F
 DIIS: error= 2.66D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.845997804741     IErMin= 9 ErrMin= 2.66D-07
 ErrMax= 2.66D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.77D-11 BMatP= 1.02D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.421D-05-0.441D-03-0.171D-03 0.387D-03 0.276D-02 0.194D-01
 Coeff-Com:  0.110D+00 0.257D+00 0.610D+00
 Coeff:      0.421D-05-0.441D-03-0.171D-03 0.387D-03 0.276D-02 0.194D-01
 Coeff:      0.110D+00 0.257D+00 0.610D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=2.40D-07 MaxDP=3.37D-05 DE=-1.19D-09 OVMax= 4.57D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.30D-07    CP:  2.37D+00  1.04D+00  9.16D-01  1.19D+00  8.88D-01
                    CP:  9.87D-01  8.38D-01  8.70D-01  9.18D-01
 E= -656.845997804769     Delta-E=       -0.000000000028 Rises=F Damp=F
 DIIS: error= 6.13D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.845997804769     IErMin=10 ErrMin= 6.13D-08
 ErrMax= 6.13D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.93D-12 BMatP= 8.77D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.365D-05-0.182D-03-0.695D-04-0.459D-03-0.235D-03 0.495D-02
 Coeff-Com:  0.381D-01 0.115D+00 0.341D+00 0.502D+00
 Coeff:      0.365D-05-0.182D-03-0.695D-04-0.459D-03-0.235D-03 0.495D-02
 Coeff:      0.381D-01 0.115D+00 0.341D+00 0.502D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=6.39D-08 MaxDP=5.56D-06 DE=-2.80D-11 OVMax= 1.04D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.34D-08    CP:  2.37D+00  1.04D+00  9.16D-01  1.19D+00  8.89D-01
                    CP:  9.86D-01  8.38D-01  8.81D-01  9.15D-01  9.40D-01
 E= -656.845997804544     Delta-E=        0.000000000226 Rises=F Damp=F
 DIIS: error= 1.32D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -656.845997804769     IErMin=11 ErrMin= 1.32D-08
 ErrMax= 1.32D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.57D-13 BMatP= 7.93D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.113D-05-0.361D-04-0.113D-04-0.253D-03-0.371D-03 0.298D-03
 Coeff-Com:  0.628D-02 0.247D-01 0.900D-01 0.217D+00 0.662D+00
 Coeff:      0.113D-05-0.361D-04-0.113D-04-0.253D-03-0.371D-03 0.298D-03
 Coeff:      0.628D-02 0.247D-01 0.900D-01 0.217D+00 0.662D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=2.59D-08 MaxDP=2.05D-06 DE= 2.26D-10 OVMax= 3.90D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.18D-08    CP:  2.37D+00  1.04D+00  9.16D-01  1.19D+00  8.89D-01
                    CP:  9.86D-01  8.39D-01  8.82D-01  9.27D-01  9.59D-01
                    CP:  7.90D-01
 E= -656.845997804574     Delta-E=       -0.000000000030 Rises=F Damp=F
 DIIS: error= 8.86D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -656.845997804769     IErMin=12 ErrMin= 8.86D-09
 ErrMax= 8.86D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-13 BMatP= 3.57D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.331D-06-0.412D-05 0.363D-06-0.115D-03-0.212D-03-0.336D-03
 Coeff-Com: -0.167D-05 0.342D-02 0.210D-01 0.824D-01 0.422D+00 0.472D+00
 Coeff:      0.331D-06-0.412D-05 0.363D-06-0.115D-03-0.212D-03-0.336D-03
 Coeff:     -0.167D-05 0.342D-02 0.210D-01 0.824D-01 0.422D+00 0.472D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=6.59D-09 MaxDP=4.65D-07 DE=-3.05D-11 OVMax= 1.64D-07

 SCF Done:  E(RB3LYP) =  -656.845997805     A.U. after   12 cycles
            NFock= 12  Conv=0.66D-08     -V/T= 2.0060
 KE= 6.529461102041D+02 PE=-3.472616433985D+03 EE= 1.190207615011D+03
 Leave Link  502 at Wed Sep  8 12:42:12 2021, MaxMem=  6442450944 cpu:            5976.6 elap:             748.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   506
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    506 NOA=    56 NOB=    56 NVA=   450 NVB=   450

 **** Warning!!: The largest alpha MO coefficient is  0.11422637D+03

 Leave Link  801 at Wed Sep  8 12:42:13 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10248 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.20D-13 8.33D-09 XBig12= 1.00D+00 5.38D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.20D-13 8.33D-09 XBig12= 4.27D-01 1.63D-01.
     11 vectors produced by pass  2 Test12= 4.20D-13 8.33D-09 XBig12= 9.62D-02 1.10D-01.
     11 vectors produced by pass  3 Test12= 4.20D-13 8.33D-09 XBig12= 1.09D-02 2.80D-02.
     11 vectors produced by pass  4 Test12= 4.20D-13 8.33D-09 XBig12= 3.23D-03 1.69D-02.
     11 vectors produced by pass  5 Test12= 4.20D-13 8.33D-09 XBig12= 1.65D-04 2.15D-03.
     11 vectors produced by pass  6 Test12= 4.20D-13 8.33D-09 XBig12= 7.67D-06 3.54D-04.
     11 vectors produced by pass  7 Test12= 4.20D-13 8.33D-09 XBig12= 2.31D-07 5.39D-05.
     11 vectors produced by pass  8 Test12= 4.20D-13 8.33D-09 XBig12= 6.77D-09 1.26D-05.
     11 vectors produced by pass  9 Test12= 4.20D-13 8.33D-09 XBig12= 1.50D-10 1.79D-06.
      8 vectors produced by pass 10 Test12= 4.20D-13 8.33D-09 XBig12= 3.39D-12 2.59D-07.
      3 vectors produced by pass 11 Test12= 4.20D-13 8.33D-09 XBig12= 1.07D-13 3.71D-08.
      1 vectors produced by pass 12 Test12= 4.20D-13 8.33D-09 XBig12= 5.28D-14 1.57D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   122 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.228662D+03
      2 -0.253333D+01  0.140950D+03
      3 -0.294831D+00 -0.718247D+01  0.154086D+03
 Isotropic polarizability for W=    0.088559      174.57 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.266277D+03  0.466812D+02  0.376035D+01
      2  -0.140507D+03 -0.248094D+02  0.207789D+02
      3  -0.125769D+03 -0.218718D+02 -0.245393D+02
      4  -0.315221D+02  0.752928D+02 -0.245947D+02
      5  -0.187532D+01 -0.264432D+02  0.627317D+02
      6  -0.135790D+02  0.134090D+02 -0.338552D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.205815D+01 -0.652663D+01  0.223930D+02
      2   0.100873D+02 -0.747896D+01  0.317658D+02
      3  -0.116262D+03 -0.435371D+02  0.104793D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.184843D+01 -0.736997D+01  0.119834D+02
      2   0.563567D+01 -0.110157D+02  0.188501D+03
      3  -0.782033D+02 -0.215800D+03  0.128642D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.103805D+01 -0.110695D+01  0.151897D+02
      2  -0.110695D+01  0.145663D+01 -0.469548D+00
      3   0.151897D+02 -0.469548D+00 -0.155251D+01
 OR G Eigenvalues:   -15.5116     1.3720    15.0818  Iso=    -0.3141
 Eigenvectors:
   (1)  -0.676860  -0.023797   0.735727
   (2)   0.044966   0.996274   0.073592
   (3)   0.734738  -0.082894   0.673268
 w=    0.088559 a.u., Optical Rotation Beta=     -0.3141 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      -77.20 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 4.70D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.18D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.00D-14 2.78D-09 XBig12= 1.00D+00 3.89D-01.
     30 vectors produced by pass  1 Test12= 7.00D-14 2.78D-09 XBig12= 5.02D-02 2.93D-02.
     30 vectors produced by pass  2 Test12= 7.00D-14 2.78D-09 XBig12= 1.44D-03 7.38D-03.
     30 vectors produced by pass  3 Test12= 7.00D-14 2.78D-09 XBig12= 4.73D-05 1.55D-03.
     30 vectors produced by pass  4 Test12= 7.00D-14 2.78D-09 XBig12= 4.52D-07 1.49D-04.
     30 vectors produced by pass  5 Test12= 7.00D-14 2.78D-09 XBig12= 4.67D-09 6.98D-06.
     30 vectors produced by pass  6 Test12= 7.00D-14 2.78D-09 XBig12= 3.01D-11 4.96D-07.
     29 vectors produced by pass  7 Test12= 7.00D-14 2.78D-09 XBig12= 1.95D-13 3.63D-08.
     11 vectors produced by pass  8 Test12= 7.00D-14 2.78D-09 XBig12= 1.19D-14 8.10D-09.
      2 vectors produced by pass  9 Test12= 7.00D-14 2.78D-09 XBig12= 3.99D-15 4.55D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.67D-15
 Solved reduced A of dimension   252 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 9.59D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 9.59D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 8.50D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.228662D+03 -0.253333D+01 -0.294831D+00
      2  -0.253333D+01  0.140950D+03 -0.718247D+01
      3  -0.294831D+00 -0.718247D+01  0.154086D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.205815D+01 -0.652663D+01  0.223930D+02
      2   0.100873D+02 -0.747896D+01  0.317658D+02
      3  -0.116262D+03 -0.435371D+02  0.104793D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.266277D+03  0.466812D+02  0.376035D+01
      2  -0.140507D+03 -0.248094D+02  0.207789D+02
      3  -0.125769D+03 -0.218718D+02 -0.245393D+02
      4  -0.315221D+02  0.752928D+02 -0.245947D+02
      5  -0.187532D+01 -0.264432D+02  0.627317D+02
      6  -0.135790D+02  0.134090D+02 -0.338552D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.153698D+02  0.491917D+00  0.960578D+00  0.664132D+01  0.222992D+01
      2   0.491917D+00  0.116949D+01  0.133805D+00  0.222992D+01  0.200976D+01
      3   0.960578D+00  0.133805D+00  0.192727D+01 -0.454220D-01 -0.286912D+01
                 6             7             8             9            10 
      1  -0.454220D-01 -0.124570D+02  0.531771D+00 -0.605222D+00  0.353650D+02
      2  -0.286912D+01  0.531771D+00 -0.159283D+01 -0.117653D+01  0.142525D+01
      3  -0.230792D+01 -0.605222D+00 -0.117653D+01 -0.169256D+01 -0.109116D+01
                11            12            13            14            15 
      1   0.142525D+01 -0.109116D+01 -0.784976D+00  0.487930D+01  0.109269D+01
      2   0.208003D+01 -0.706967D+00  0.487930D+01 -0.882955D+00 -0.124203D+00
      3  -0.706967D+00  0.303611D+01  0.109269D+01 -0.124203D+00 -0.659370D+00
                16            17            18            19            20 
      1  -0.316215D+01  0.103506D+01  0.158344D+01  0.121744D+02 -0.538627D+00
      2   0.103506D+01  0.566575D+00 -0.865855D+00 -0.538627D+00 -0.128494D+01
      3   0.158344D+01 -0.865855D+00 -0.807585D+00 -0.908108D+00 -0.338771D+00
                21            22            23            24            25 
      1  -0.908108D+00  0.571395D+01 -0.169186D+01 -0.107063D+01 -0.154083D+02
      2  -0.338771D+00 -0.169186D+01  0.253704D+01 -0.231091D+01  0.772434D-01
      3  -0.346015D+01 -0.107063D+01 -0.231091D+01 -0.144360D+01  0.960094D+00
                26            27            28            29            30 
      1   0.772434D-01  0.960094D+00 -0.342846D+02  0.683669D+00  0.907264D+00
      2  -0.995937D+00 -0.993958D+00  0.683669D+00 -0.205227D+01  0.213659D+00
      3  -0.993958D+00 -0.159845D+01  0.907264D+00  0.213659D+00 -0.290069D+01
                31            32            33            34            35 
      1   0.243938D+01 -0.517368D+01 -0.155232D+01  0.284787D+01 -0.123507D+01
      2  -0.517368D+01  0.551408D+00  0.378506D+00 -0.123507D+01 -0.264819D+00
      3  -0.155232D+01  0.378506D+00  0.736226D-02 -0.955627D+00 -0.865671D+00
                36            37            38            39            40 
      1  -0.955627D+00  0.163021D+02 -0.573157D+00 -0.124958D+01 -0.396582D+01
      2  -0.865671D+00 -0.573157D+00 -0.260244D+01  0.149435D+01 -0.179828D+01
      3   0.541185D+00 -0.124958D+01  0.149435D+01 -0.225729D+01 -0.516781D+00
                41            42            43            44            45 
      1  -0.179828D+01 -0.516781D+00  0.136788D+02 -0.212983D+01  0.369276D+00
      2  -0.286301D+01  0.258150D+01 -0.212983D+01  0.155392D+01  0.140955D+01
      3   0.258150D+01  0.196384D+01  0.369276D+00  0.140955D+01  0.166400D+01
                46            47            48            49            50 
      1  -0.118556D+02  0.464846D+00  0.869789D+00 -0.353746D+01  0.107806D+01
      2   0.464846D+00  0.232984D+01 -0.989839D+00  0.107806D+01 -0.354191D+01
      3   0.869789D+00 -0.989839D+00  0.330060D+01  0.155793D+01  0.225043D+01
                51            52            53            54            55 
      1   0.155793D+01  0.149049D+02  0.154142D+01 -0.135704D+01 -0.189023D+02
      2   0.225043D+01  0.154142D+01 -0.389184D-01  0.157016D+01 -0.207516D+01
      3   0.114959D+01 -0.135704D+01  0.157016D+01  0.938890D+00 -0.241113D+00
                56            57            58            59            60 
      1  -0.207516D+01 -0.241113D+00 -0.718210D+01 -0.794294D+01 -0.542403D+00
      2  -0.374990D+01 -0.139136D+00 -0.794294D+01  0.254663D+01 -0.180152D+01
      3  -0.139136D+00 -0.148685D+01 -0.542403D+00 -0.180152D+01 -0.146149D-01
                61            62            63            64            65 
      1  -0.721881D+01 -0.141913D+01 -0.330250D+01 -0.540135D+00  0.309430D+01
      2  -0.141913D+01 -0.341567D+01  0.731845D+00  0.309430D+01  0.425295D+01
      3  -0.330250D+01  0.731845D+00  0.547591D+01 -0.252124D+00  0.394691D+00
                66            67            68            69            70 
      1  -0.252124D+00  0.132740D+02  0.733070D+01  0.853180D+00  0.700768D+01
      2   0.394691D+00  0.733070D+01 -0.180701D+01  0.240766D+01  0.147720D+01
      3   0.269999D+01  0.853180D+00  0.240766D+01  0.522867D+00  0.419835D+01
                71            72            73            74            75 
      1   0.147720D+01  0.419835D+01  0.628724D+01 -0.272807D+01 -0.992001D+00
      2   0.352379D+01  0.577166D+00 -0.272807D+01 -0.372128D+01 -0.708102D+00
      3   0.577166D+00 -0.766020D+01 -0.992001D+00 -0.708102D+00 -0.201484D+01
                76            77            78            79            80 
      1  -0.383157D+01 -0.426757D+01 -0.946193D+00 -0.243141D+01 -0.962153D+00
      2  -0.426757D+01 -0.321993D+00 -0.309094D+01 -0.962153D+00 -0.438319D+01
      3  -0.946193D+00 -0.309094D+01 -0.984751D+00 -0.284678D+01 -0.203237D+01
                81            82            83            84            85 
      1  -0.284678D+01  0.607070D+01 -0.173916D+01 -0.412660D+00 -0.441535D+01
      2  -0.203237D+01 -0.173916D+01 -0.359771D+01 -0.563103D+00 -0.618982D+01
      3   0.555230D+01 -0.412660D+00 -0.563103D+00 -0.291922D+01 -0.926653D+00
                86            87            88            89            90 
      1  -0.618982D+01 -0.926653D+00 -0.222908D+01 -0.994097D+00 -0.492616D+01
      2   0.213683D+01 -0.401906D+01 -0.994097D+00 -0.414059D+01 -0.238147D+00
      3  -0.401906D+01 -0.419268D+00 -0.492616D+01 -0.238147D+00  0.458066D+01
                91            92            93            94            95 
      1   0.841870D+01  0.158729D+01  0.210859D+01 -0.450142D+01  0.693214D+01
      2   0.158729D+01  0.236957D+01  0.452432D+00  0.693214D+01 -0.439816D+01
      3   0.210859D+01  0.452432D+00  0.169574D+01  0.170273D+01  0.760676D+00
                96            97            98            99           100 
      1   0.170273D+01  0.361512D+01  0.244566D+01  0.267589D+01  0.838143D+00
      2   0.760676D+00  0.244566D+01  0.806269D+00  0.289407D+01 -0.128016D+01
      3   0.236656D+01  0.267589D+01  0.289407D+01 -0.308971D+01 -0.171649D+01
               101           102           103           104           105 
      1  -0.128016D+01 -0.171649D+01 -0.705354D+00 -0.125837D+01  0.155295D+01
      2  -0.331673D+00  0.912652D+00 -0.125837D+01  0.410945D+01 -0.183856D+01
      3   0.912652D+00  0.603449D+00  0.155295D+01 -0.183856D+01 -0.295178D+01
               106           107           108           109           110 
      1  -0.538877D+01  0.243306D+01  0.148791D+01 -0.294220D+01  0.196403D+01
      2   0.243306D+01 -0.471226D+01 -0.366839D+01  0.196403D+01 -0.876084D+00
      3   0.148791D+01 -0.366839D+01 -0.216480D+01  0.345258D+01 -0.843954D+00
               111           112           113           114           115 
      1   0.345258D+01  0.413366D+01 -0.315040D+01 -0.200666D+01  0.851889D+01
      2  -0.843954D+00 -0.315040D+01  0.436134D+01  0.390789D+01 -0.369197D+01
      3  -0.148954D+01 -0.200666D+01  0.390789D+01  0.335871D+01 -0.370881D+01
               116           117           118           119           120 
      1  -0.369197D+01 -0.370881D+01  0.586714D-01 -0.365794D+00 -0.137435D+01
      2   0.519990D+01  0.426220D+01 -0.365794D+00  0.211665D+01 -0.277958D+00
      3   0.426220D+01  0.890835D+01 -0.137435D+01 -0.277958D+00 -0.107471D+00
               121           122           123           124           125 
      1  -0.994323D+00  0.339638D+01 -0.694611D+00 -0.458631D+01  0.858997D+00
      2   0.339638D+01 -0.752978D+01  0.831958D-01  0.858997D+00 -0.924454D+00
      3  -0.694611D+00  0.831958D-01 -0.204142D+00 -0.110341D+01  0.150353D+01
               126           127           128           129           130 
      1  -0.110341D+01  0.203159D+01  0.642298D+00 -0.209206D+01  0.113410D+00
      2   0.150353D+01  0.642298D+00  0.251389D+00 -0.437304D+00  0.167153D+00
      3  -0.402063D+01 -0.209206D+01 -0.437304D+00  0.220138D+01 -0.704027D+00
               131           132           133           134           135 
      1   0.167153D+00 -0.704027D+00 -0.240694D+01 -0.870909D+00  0.282513D+01
      2   0.328724D+00 -0.592354D+00 -0.870909D+00 -0.110438D+01  0.166336D+01
      3  -0.592354D+00  0.221114D+01  0.282513D+01  0.166336D+01 -0.726720D+01
               136           137           138           139           140 
      1  -0.364321D+01  0.898516D+00 -0.210045D+01  0.151313D+01 -0.613215D+00
      2   0.898516D+00 -0.587137D+00  0.603136D+00 -0.613215D+00  0.582315D+00
      3  -0.210045D+01  0.603136D+00 -0.185078D+01  0.116024D+01 -0.584761D+00
               141           142           143           144           145 
      1   0.116024D+01 -0.253110D+01  0.886064D+00 -0.274416D+01 -0.204770D+01
      2  -0.584761D+00  0.886064D+00 -0.107469D+01  0.142750D+01 -0.719497D+00
      3   0.185587D+01 -0.274416D+01  0.142750D+01 -0.481639D+01  0.208155D+01
               146           147           148           149           150 
      1  -0.719497D+00  0.208155D+01 -0.495786D+00 -0.194862D+00  0.769428D+00
      2  -0.342733D+00  0.707687D+00 -0.194862D+00 -0.524754D+00  0.817904D+00
      3   0.707687D+00 -0.219818D+01  0.769428D+00  0.817904D+00 -0.230743D+01
               151           152           153           154           155 
      1   0.204427D+01  0.104609D+01 -0.274297D+01  0.363096D+01 -0.110351D+01
      2   0.104609D+01  0.160620D+01 -0.243976D+01 -0.110351D+01  0.827581D+00
      3  -0.274297D+01 -0.243976D+01  0.731581D+01  0.259335D+01 -0.112722D+01
               156           157           158           159           160 
      1   0.259335D+01 -0.192915D+01  0.722052D+00 -0.131990D+01  0.271609D+01
      2  -0.112722D+01  0.722052D+00 -0.801994D+00  0.883557D+00 -0.127644D+01
      3   0.236194D+01 -0.131990D+01  0.883557D+00 -0.207947D+01  0.308286D+01
               161           162           163           164           165 
      1  -0.127644D+01  0.308286D+01  0.124630D+01 -0.710983D-01 -0.154055D+01
      2   0.158369D+01 -0.217464D+01 -0.710983D-01  0.738671D+00  0.327541D+00
      3  -0.217464D+01  0.527679D+01 -0.154055D+01  0.327541D+00  0.141333D+01
               166           167           168           169           170 
      1   0.188842D+01  0.120551D+01 -0.711216D-01 -0.387026D+01  0.165456D+00
      2   0.120551D+01 -0.421152D+00 -0.694565D+00  0.165456D+00 -0.113539D+01
      3  -0.711216D-01 -0.694565D+00  0.128800D+00  0.253950D+01 -0.127436D+01
               171           172           173           174           175 
      1   0.253950D+01  0.465839D+01 -0.194193D+01  0.663707D+00 -0.449534D+01
      2  -0.127436D+01 -0.194193D+01  0.243962D+01 -0.812446D-01  0.372587D+01
      3  -0.622838D+01  0.663707D+00 -0.812446D-01  0.356247D+00 -0.259077D+00
               176           177           178           179           180 
      1   0.372587D+01 -0.259077D+00  0.569731D+01 -0.522877D+00  0.112514D+01
      2  -0.668310D+01  0.913850D+00 -0.522877D+00  0.223662D+01 -0.112442D+01
      3   0.913850D+00 -0.748730D+00  0.112514D+01 -0.112442D+01  0.341032D+00
               181           182           183           184           185 
      1  -0.790723D+00 -0.802101D+00  0.123804D+01 -0.177610D+01 -0.870696D+00
      2  -0.802101D+00 -0.884502D+00 -0.587883D-01 -0.870696D+00  0.200641D+00
      3   0.123804D+01 -0.587883D-01 -0.106251D+01  0.932310D-01  0.628749D+00
               186           187           188           189           190 
      1   0.932310D-01  0.221365D+01  0.154558D+00 -0.749419D+00 -0.893957D+01
      2   0.628749D+00  0.154558D+00  0.105584D+01  0.685422D-02  0.654580D+00
      3   0.207554D-01 -0.749419D+00  0.685422D-02  0.739469D+01  0.375988D+00
               191           192           193           194           195 
      1   0.654580D+00  0.375988D+00  0.172248D+00 -0.128344D+01  0.787029D-01
      2  -0.237031D+01  0.102311D+00 -0.128344D+01  0.752665D+00  0.332162D+00
      3   0.102311D+00 -0.627844D+00  0.787029D-01  0.332162D+00  0.404121D+00
               196           197           198           199           200 
      1   0.434974D+00 -0.157840D+00 -0.283746D+00  0.392748D+00  0.656634D+00
      2  -0.157840D+00  0.576321D+00  0.599550D+00  0.656634D+00  0.934970D+00
      3  -0.283746D+00  0.599550D+00 -0.334401D+00 -0.105568D+01 -0.313904D+00
               201           202           203           204           205 
      1  -0.105568D+01  0.277918D+00  0.572525D+00 -0.625795D-01 -0.174705D+01
      2  -0.313904D+00  0.572525D+00  0.824060D+00 -0.671794D+00 -0.563106D+00
      3   0.144946D+01 -0.625795D-01 -0.671794D+00  0.475225D+00  0.155916D+01
               206           207           208           209           210 
      1  -0.563106D+00  0.155916D+01  0.241051D+01  0.273887D+01  0.900290D+00
      2  -0.194361D+01  0.195170D+01  0.273887D+01  0.349427D+01  0.738537D+00
      3   0.195170D+01 -0.678307D+01  0.900290D+00  0.738537D+00  0.945185D+00
               211           212           213           214           215 
      1   0.227721D+01  0.345218D+01  0.885317D+00  0.193446D+01  0.161849D+01
      2   0.345218D+01  0.709584D+01  0.198130D+01  0.161849D+01  0.362215D+01
      3   0.885317D+00  0.198130D+01  0.133895D+01  0.127874D+01  0.192938D+01
               216           217           218           219           220 
      1   0.127874D+01  0.211234D+01  0.102568D+00 -0.155948D+01  0.389716D+00
      2   0.192938D+01  0.102568D+00  0.617496D+00  0.676979D-01  0.123510D+01
      3   0.109247D+01 -0.155948D+01  0.676979D-01  0.170160D+01  0.502809D-02
               221           222           223           224           225 
      1   0.123510D+01  0.502809D-02 -0.459523D+01  0.117305D+00  0.349969D+01
      2  -0.171843D+00 -0.428505D+00  0.117305D+00 -0.910369D+00 -0.544822D-01
      3  -0.428505D+00  0.974665D-01  0.349969D+01 -0.544822D-01 -0.609125D+01
               226           227           228           229           230 
      1   0.191410D+01 -0.171438D+01  0.872560D+00 -0.410104D+01  0.350261D+01
      2  -0.171438D+01  0.176313D+01 -0.550313D+00  0.350261D+01 -0.583459D+01
      3   0.872560D+00 -0.550313D+00  0.869571D+00 -0.114651D+01  0.209298D+01
               231           232           233           234           235 
      1  -0.114651D+01  0.202301D+01 -0.100770D+01  0.176322D+01  0.474451D+01
      2   0.209298D+01 -0.100770D+01  0.229077D+01 -0.138953D+01  0.251049D+01
      3  -0.160023D+01  0.176322D+01 -0.138953D+01  0.120962D+01  0.175156D+01
               236           237           238           239           240 
      1   0.251049D+01  0.175156D+01  0.616346D+01  0.385729D+01  0.176120D+01
      2   0.199149D+01  0.956264D+00  0.385729D+01  0.364881D+01  0.193341D+01
      3   0.956264D+00  0.135201D+01  0.176120D+01  0.193341D+01  0.166888D+01
               241           242           243           244           245 
      1   0.391379D+01  0.161715D+01  0.262106D+01  0.776975D-01 -0.821207D+00
      2   0.161715D+01  0.209555D+01  0.141965D+01 -0.821207D+00 -0.685892D+00
      3   0.262106D+01  0.141965D+01  0.166942D+01  0.121590D+01  0.246119D+00
               246           247           248           249           250 
      1   0.121590D+01 -0.124011D+01 -0.120992D+01  0.414315D+00  0.268205D+01
      2   0.246119D+00 -0.120992D+01 -0.978287D+00  0.114743D+01  0.449457D+00
      3  -0.113206D+01  0.414315D+00  0.114743D+01 -0.164626D+01 -0.185591D+01
               251           252           253           254           255 
      1   0.449457D+00 -0.185591D+01  0.858671D+01 -0.789109D+00 -0.205016D+01
      2   0.153859D+01 -0.143267D+01 -0.789109D+00 -0.358976D+01 -0.120344D+01
      3  -0.143267D+01  0.523164D+01 -0.205016D+01 -0.120344D+01 -0.173670D+01
               256           257           258           259           260 
      1  -0.455394D+01 -0.318351D+01 -0.157140D+01 -0.752567D+01 -0.191316D+01
      2  -0.318351D+01  0.535136D+01 -0.339402D+00 -0.191316D+01 -0.197162D+01
      3  -0.157140D+01 -0.339402D+00 -0.258057D+01 -0.232588D+01 -0.259266D+01
               261           262           263           264           265 
      1  -0.232588D+01 -0.140682D+01  0.177091D+01 -0.746064D+00  0.292609D+01
      2  -0.259266D+01  0.177091D+01 -0.201390D+01  0.539860D+00 -0.413119D+01
      3   0.262399D+01 -0.746064D+00  0.539860D+00 -0.538989D+00  0.108451D+01
               266           267           268           269           270 
      1  -0.413119D+01  0.108451D+01 -0.467768D-01 -0.269546D+00 -0.414223D+00
      2   0.967469D+01 -0.209268D+01 -0.269546D+00  0.425870D+00  0.716626D+00
      3  -0.209268D+01  0.175561D+01 -0.414223D+00  0.716626D+00 -0.825306D+00
               271           272           273           274           275 
      1  -0.468478D+00  0.384825D+00 -0.456140D+00  0.140230D+01  0.280780D+00
      2   0.384825D+00  0.501220D+00  0.222568D+00  0.280780D+00  0.269858D+00
      3  -0.456140D+00  0.222568D+00  0.423927D+00  0.383416D+00 -0.634589D+00
               276           277           278           279           280 
      1   0.383416D+00 -0.181690D+01 -0.231802D+00 -0.681490D+00 -0.161067D+02
      2  -0.634589D+00 -0.231802D+00 -0.120603D+01  0.363157D+00 -0.200896D+01
      3   0.135520D+01 -0.681490D+00  0.363157D+00 -0.607994D+01 -0.382063D+00
               281           282           283           284           285 
      1  -0.200896D+01 -0.382063D+00  0.821318D+00 -0.117349D+01  0.162772D+00
      2  -0.133826D+01 -0.196744D+00 -0.117349D+01 -0.658295D+00  0.736559D-01
      3  -0.196744D+00 -0.102200D+01  0.162772D+00  0.736559D-01  0.328645D+00
               286           287           288           289           290 
      1   0.223054D+01  0.493289D+00 -0.105647D+01 -0.228522D-01 -0.799081D+00
      2   0.493289D+00  0.545176D+00  0.741340D-01 -0.799081D+00  0.215045D+01
      3  -0.105647D+01  0.741340D-01  0.399426D-01  0.228475D+00  0.423484D+00
               291           292           293           294           295 
      1   0.228475D+00 -0.163768D+01 -0.434342D+00 -0.121351D+00  0.958397D+00
      2   0.423484D+00 -0.434342D+00 -0.956259D+01 -0.108190D+01  0.297364D+00
      3   0.467287D+00 -0.121351D+00 -0.108190D+01 -0.106145D+01  0.903396D-01
               296           297 
      1   0.297364D+00  0.903396D-01
      2   0.587517D+00 -0.776975D+00
      3  -0.776975D+00 -0.396842D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.311419D+00 -0.250577D+01  0.825940D+00 -0.719603D+01 -0.261615D+01
      2   0.508619D+01 -0.264877D+01  0.943511D+01 -0.313377D+01  0.180954D+01
      3   0.227879D+02 -0.309271D+01  0.325530D+01  0.722507D+01 -0.154796D+01
                 6             7             8             9            10 
      1  -0.216920D+01 -0.244890D+01  0.231998D+01 -0.197393D+00  0.294157D+00
      2  -0.332789D+01 -0.409974D+01 -0.138806D+01  0.269462D+01  0.103398D+01
      3   0.207416D+01  0.173567D+02  0.297854D+00  0.335068D+01 -0.370082D+02
                11            12            13            14            15 
      1   0.963777D-01  0.224755D+01  0.190887D+01  0.461537D+01 -0.901272D+01
      2   0.761114D+00 -0.436150D+01  0.554338D+01  0.330464D+00  0.449219D+00
      3  -0.656228D+00  0.905682D+00  0.123882D+02 -0.198052D+01 -0.222411D+00
                16            17            18            19            20 
      1  -0.272654D+01 -0.236883D+01 -0.452889D+01  0.824634D+00  0.186631D+01
      2  -0.283361D+02 -0.185829D+01 -0.295947D+01 -0.676162D+01 -0.112578D+01
      3  -0.248877D+01 -0.692895D+00 -0.291689D+01 -0.168032D+02 -0.228422D+00
                21            22            23            24            25 
      1  -0.163238D+01  0.560769D+01 -0.199418D+01 -0.331882D+01  0.421887D+01
      2   0.348828D+01 -0.464649D+01 -0.212524D+01  0.123002D+01  0.554990D+00
      3   0.268626D+01  0.532955D+01  0.189692D+01 -0.270540D+01  0.223260D+02
                26            27            28            29            30 
      1   0.185515D+01 -0.166992D+01 -0.940909D+00  0.180620D+01 -0.228881D+01
      2   0.136548D+00 -0.147322D+01  0.476548D+01  0.111393D+01 -0.362461D+01
      3  -0.255661D+01 -0.509884D+01  0.389841D+02 -0.165450D+01 -0.257228D+01
                31            32            33            34            35 
      1  -0.403163D+00  0.402573D+01 -0.985675D+01 -0.512635D+01 -0.159772D+01
      2   0.543628D+01 -0.188781D+00  0.209758D+01 -0.304578D+02  0.485511D+01
      3   0.967011D+01  0.530497D+01  0.989988D+00 -0.825877D+01 -0.118799D+01
                36            37            38            39            40 
      1  -0.318305D+01 -0.114026D+01 -0.134738D+01 -0.221746D+01 -0.591665D+01
      2   0.259599D+00  0.313636D+01 -0.296770D+01  0.819644D+01 -0.339690D+01
      3   0.184345D+01 -0.183235D+02 -0.613033D+00  0.344099D+01  0.148392D+02
                41            42            43            44            45 
      1   0.149696D+01  0.785195D+00 -0.780647D+00  0.361378D+01  0.216835D+01
      2   0.188794D+01 -0.153802D+01 -0.651733D+01 -0.123384D+01  0.166381D+01
      3  -0.837519D+00  0.289825D+01 -0.141714D+02  0.466223D+01  0.216660D+01
                46            47            48            49            50 
      1   0.117041D+00  0.148179D+01  0.352347D+01  0.861832D+01  0.147243D+01
      2  -0.421744D+01 -0.212643D+01  0.409989D+01 -0.445938D+01 -0.186960D+01
      3   0.161318D+02 -0.178490D+01 -0.154865D+01  0.152807D+02  0.134449D+01
                51            52            53            54            55 
      1  -0.247153D+01  0.292735D+01  0.391071D+01  0.678899D+00 -0.239303D+01
      2   0.891081D+00 -0.574489D+00  0.158747D+01 -0.217947D+01 -0.420302D+01
      3  -0.427863D+01 -0.130717D+02 -0.219000D+01 -0.605976D+00  0.199202D+02
                56            57            58            59            60 
      1  -0.215516D+00 -0.597663D+00 -0.642305D+00 -0.586461D+01 -0.757356D+00
      2   0.423896D+00 -0.936836D+00 -0.165759D+01 -0.114903D+02  0.174941D+01
      3   0.111056D+02  0.374481D+00  0.396833D+02  0.112361D+00  0.678358D+01
                61            62            63            64            65 
      1   0.716754D-01  0.416699D+01  0.447532D+01  0.269301D+01  0.114496D+01
      2  -0.227839D+02  0.856916D+00  0.215418D+02  0.396551D+01  0.156634D+01
      3   0.118517D+02  0.126447D+02  0.164551D+01 -0.220964D+02 -0.214614D+02
                66            67            68            69            70 
      1  -0.182299D+01 -0.117631D+00 -0.176093D+01 -0.190882D+01  0.409297D+00
      2   0.138042D+02  0.546084D+01  0.119503D+02 -0.231564D+00  0.144275D+02
      3  -0.190791D+01 -0.314479D+02  0.639603D+01 -0.101322D+02 -0.127611D+02
                71            72            73            74            75 
      1   0.467314D+01  0.478833D+01  0.159537D+01  0.228604D+01  0.511745D+01
      2   0.326573D+01 -0.355992D+02 -0.152795D+00 -0.427220D+01 -0.529085D+01
      3  -0.150247D+02 -0.245885D+01  0.280711D+02  0.423431D+01  0.115526D+01
                76            77            78            79            80 
      1   0.334557D+01  0.992988D+01  0.171423D+01  0.718867D+01  0.851554D+01
      2  -0.550114D+01 -0.115704D+02 -0.354005D+01 -0.122696D+02 -0.699392D+01
      3   0.113477D+02 -0.694552D+01  0.922131D+01  0.184710D+01  0.131802D+02
                81            82            83            84            85 
      1  -0.121524D+02 -0.344128D+00 -0.492364D+00  0.310562D+00 -0.438012D+00
      2   0.189472D+02 -0.555083D+01 -0.241685D+01 -0.156203D+02 -0.412287D+01
      3   0.315834D+01  0.880624D+01  0.192806D+02  0.306163D+01  0.407348D+02
                86            87            88            89            90 
      1   0.143192D+01 -0.244316D+01  0.891765D+00  0.646570D+00 -0.133492D+01
      2  -0.224082D+02 -0.459078D+00 -0.325188D+02 -0.109071D+01  0.270615D+02
      3  -0.134170D+02  0.234839D+02  0.525084D+01  0.234616D+02  0.142160D+01
                91            92            93            94            95 
      1   0.191283D+01 -0.110773D+01  0.172663D+01  0.111307D+01 -0.204307D+01
      2  -0.133719D+02  0.296331D+00 -0.216564D+01 -0.694291D+00 -0.533685D+01
      3  -0.897973D+01  0.263175D+01 -0.655071D+00  0.402968D+02 -0.206897D+02
                96            97            98            99           100 
      1  -0.174724D+01  0.130348D+01  0.596139D+01  0.589555D-03  0.154579D+01
      2  -0.106461D+02 -0.184989D+02 -0.104744D+02  0.112081D+02  0.561600D+01
      3  -0.954876D+00  0.284254D+01 -0.801288D+00  0.730821D+01  0.174869D+02
               101           102           103           104           105 
      1   0.184050D+01 -0.424739D+01  0.358639D+00 -0.112525D+01  0.210826D+01
      2  -0.421690D+01  0.728693D+01 -0.224938D+01  0.587992D+01  0.184913D+02
      3  -0.172932D+02  0.223214D+01 -0.703752D+01  0.447556D+01 -0.447522D+01
               106           107           108           109           110 
      1  -0.336230D+01 -0.277396D+01  0.446614D+01 -0.364790D+01 -0.244070D+01
      2  -0.274669D+01  0.144542D+02  0.937460D+01 -0.853729D+01  0.226365D+01
      3   0.150641D+02 -0.165761D+02 -0.112722D+02 -0.821972D+00 -0.625228D+00
               111           112           113           114           115 
      1   0.237720D+01 -0.206653D+01  0.426164D+01 -0.681035D+01  0.667329D+00
      2   0.494632D+01 -0.157913D+01 -0.108546D+02 -0.145217D+02  0.319315D+01
      3  -0.449447D+00 -0.742158D+01  0.191837D+02  0.128767D+02 -0.168732D+02
               116           117           118           119           120 
      1   0.740304D+01 -0.994270D+01  0.303615D+01  0.292148D-01  0.325158D+00
      2  -0.129649D+02 -0.318282D+02  0.413424D+01  0.822429D+00  0.192424D+01
      3   0.199045D+02  0.133212D+02 -0.463902D+01  0.598539D+01 -0.303140D+01
               121           122           123           124           125 
      1   0.320155D+00  0.324735D+01 -0.105003D+01 -0.154360D+01  0.682479D+01
      2   0.307998D+01  0.145801D+01 -0.664599D+00 -0.484482D+00 -0.449044D+01
      3   0.982717D+01 -0.223534D+02 -0.740379D+00  0.302969D+01 -0.430544D+01
               126           127           128           129           130 
      1   0.733048D+01 -0.200601D+01 -0.203801D+01  0.112113D+01 -0.243275D+00
      2   0.154725D+02  0.463999D+01  0.907535D+00 -0.972856D+00  0.362058D+00
      3   0.573556D+01 -0.266516D+00 -0.114188D+01  0.994702D+00  0.123130D+01
               131           132           133           134           135 
      1  -0.128082D+01 -0.193188D+00  0.290982D+01  0.528170D+01 -0.499930D+01
      2  -0.338528D-01  0.493748D+00 -0.479914D+01 -0.298954D+00 -0.180664D+01
      3  -0.587801D+00  0.499577D+00  0.121393D+01  0.224128D+01 -0.183745D+01
               136           137           138           139           140 
      1  -0.213019D+01  0.284505D+01 -0.798178D+00  0.129414D+01 -0.134528D+01
      2  -0.795458D+01  0.129778D+01 -0.138713D+01  0.177559D+01 -0.541465D+00
      3   0.670308D-01 -0.138453D+01  0.637632D+00  0.551491D+00  0.135653D+01
               141           142           143           144           145 
      1  -0.670897D+00 -0.196993D+01  0.409564D+01 -0.291158D+01  0.189713D+01
      2   0.131754D+00 -0.462517D+01  0.424042D+00  0.772658D+00  0.441947D+01
      3  -0.181033D+00  0.548997D+00 -0.234841D+01  0.154344D+01  0.266388D+01
               146           147           148           149           150 
      1  -0.876360D+00 -0.224330D+01  0.108836D+01  0.114861D+00 -0.357541D+01
      2   0.483770D+00 -0.892299D+00  0.717838D+00 -0.159184D+00  0.620450D+00
      3  -0.316422D-01 -0.195814D+01  0.167571D+01 -0.304781D+00 -0.598878D+00
               151           152           153           154           155 
      1  -0.186418D+01  0.217555D+01  0.578088D+01  0.268101D+01  0.120320D+01
      2  -0.423537D+01 -0.365798D+00 -0.105858D+01 -0.544511D+01  0.184263D+00
      3  -0.240661D+01  0.107802D+01  0.176151D+01 -0.498286D+01 -0.851974D+00
               156           157           158           159           160 
      1   0.233575D+01 -0.154550D+01  0.211203D+00 -0.373419D+01  0.255609D+01
      2  -0.194239D+00  0.102268D+01  0.191996D+00 -0.911666D+00 -0.299290D+01
      3  -0.232161D+01  0.415995D+01  0.614733D+00  0.730944D+00 -0.307004D+01
               161           162           163           164           165 
      1   0.145371D+01  0.435450D+01 -0.128483D+01 -0.652746D+00  0.114363D+01
      2  -0.220640D+00  0.218402D+01 -0.541855D+01  0.743208D+00  0.587885D+01
      3  -0.126909D+01 -0.200569D+01 -0.175740D+01 -0.365846D+01  0.555864D+00
               166           167           168           169           170 
      1   0.223092D+00 -0.301252D+00 -0.100335D+01  0.221119D+01  0.220125D+01
      2   0.531149D+00 -0.112724D+01  0.813980D+00  0.268879D+01 -0.422556D+01
      3  -0.348255D+01  0.282416D+00  0.169141D+01  0.320172D+01  0.410450D+01
               171           172           173           174           175 
      1  -0.628258D+01  0.935520D+00 -0.102341D+01  0.141322D+01 -0.163760D+01
      2  -0.207374D+02  0.518481D+01 -0.158950D+01  0.331480D+01 -0.302217D+01
      3   0.389671D+00  0.105768D+01 -0.770046D+01 -0.194128D+00 -0.466559D+01
               176           177           178           179           180 
      1   0.343060D+01 -0.346582D+01  0.170757D+01 -0.126019D+01  0.126487D+01
      2   0.611345D+01 -0.370869D+01  0.387545D+01 -0.437885D+01  0.966260D+00
      3   0.180604D+02 -0.216813D+01 -0.394295D+01 -0.730041D+01  0.199961D+01
               181           182           183           184           185 
      1  -0.271838D+01 -0.166300D+01  0.913581D+00 -0.117058D+01 -0.334569D+00
      2   0.800594D+01  0.810831D+00 -0.486010D+01  0.219192D+01  0.335300D+01
      3   0.263166D+01  0.271889D+01  0.401237D+00  0.546250D+01 -0.804909D+00
               186           187           188           189           190 
      1  -0.702915D+00  0.159086D+01  0.353314D+01 -0.424071D+01  0.770077D+00
      2  -0.505751D+00 -0.905604D+01 -0.862296D+00  0.305230D+02 -0.213784D+01
      3  -0.242090D+01  0.210630D+00 -0.361006D+01 -0.493686D+00 -0.271814D+02
               191           192           193           194           195 
      1   0.604752D+00  0.223384D+01  0.461230D-01 -0.793720D+00 -0.111775D+01
      2   0.500675D+00 -0.132920D+00  0.340617D+00  0.793180D+00  0.201262D+00
      3   0.639298D+01  0.442676D+00  0.630160D+01 -0.382871D+01 -0.116396D+01
               196           197           198           199           200 
      1   0.234511D+01  0.615727D+00  0.771806D+00  0.239419D+01 -0.324639D-01
      2  -0.341830D+01  0.120119D+01 -0.112976D+01 -0.340089D+01 -0.120894D+01
      3   0.761873D+00 -0.224485D+01 -0.284942D+01 -0.249048D+01 -0.338305D+01
               201           202           203           204           205 
      1  -0.317881D+01  0.242023D+00  0.113875D+01 -0.214119D+01 -0.319522D+01
      2   0.534322D+01 -0.213392D+00 -0.187950D+01  0.935680D+00  0.913796D+00
      3  -0.312486D+00 -0.448810D+00 -0.166217D+01  0.186146D+01 -0.211385D+01
               206           207           208           209           210 
      1  -0.197903D+00  0.154053D+02 -0.260457D+01 -0.226122D+01 -0.387072D+01
      2   0.619058D+01 -0.227157D+02  0.346177D+01  0.313652D+01  0.461885D+01
      3   0.697134D+01 -0.504106D+01 -0.509386D+01 -0.957656D+01 -0.793298D+00
               211           212           213           214           215 
      1  -0.358709D+01 -0.578717D+01 -0.601885D+01 -0.359481D+01 -0.356905D+01
      2   0.325805D+01  0.765835D+01  0.594358D+01  0.361557D+01  0.703069D+01
      3  -0.350479D+01 -0.197374D+02 -0.500726D+01 -0.122058D+01 -0.108198D+02
               216           217           218           219           220 
      1  -0.349087D+01  0.351518D+00 -0.428904D+00 -0.912456D-01  0.207450D+00
      2   0.417651D+01 -0.944384D+01  0.268151D+00  0.114575D+02 -0.606633D-01
      3  -0.467599D+01 -0.408972D+00 -0.449358D+01 -0.423014D+00 -0.509936D+01
               221           222           223           224           225 
      1   0.566505D-01 -0.882506D+00 -0.802346D+00  0.259762D+01  0.115319D+01
      2  -0.231972D+01  0.444092D+00  0.167230D+02 -0.237003D+00 -0.361909D+02
      3   0.101462D+01  0.193428D+01 -0.922709D+00  0.610793D+01  0.504242D-01
               226           227           228           229           230 
      1  -0.858193D+00  0.863723D+00  0.415032D+00  0.104709D+01 -0.291702D+01
      2   0.428885D+01 -0.257223D+01  0.545092D+01 -0.432587D+01  0.110893D+02
      3   0.931536D+01 -0.111621D+02  0.318848D+01 -0.156913D+02  0.334147D+02
               231           232           233           234           235 
      1  -0.153055D+01 -0.402271D+00  0.207957D+01  0.124289D+00  0.405286D+00
      2  -0.996117D+01  0.735228D+01 -0.746581D+01  0.616513D+01  0.791536D+01
      3  -0.116958D+02  0.495184D+01 -0.134200D+02  0.735282D+01 -0.122689D+02
               236           237           238           239           240 
      1   0.930114D+00 -0.943623D+00  0.434223D+00  0.138642D+01 -0.161578D+01
      2   0.444927D+01  0.930656D+01  0.727513D+01  0.985895D+01  0.101802D+02
      3  -0.132289D+02 -0.516748D+01 -0.180748D+02 -0.212325D+02 -0.107266D+02
               241           242           243           244           245 
      1  -0.653639D+00  0.161032D+01 -0.727121D+00  0.729992D-01 -0.459653D+00
      2   0.118333D+02  0.741529D+01  0.879593D+01 -0.520298D+01 -0.589083D+00
      3  -0.771141D+01 -0.126687D+02 -0.754048D+01 -0.316552D+01 -0.240123D+01
               246           247           248           249           250 
      1  -0.660893D+00 -0.168991D+00  0.284859D+00 -0.183310D+01 -0.495529D+00
      2   0.397930D+01 -0.201335D+00 -0.294064D+01  0.572888D+01  0.119641D+01
      3   0.168663D+00 -0.113339D+01 -0.229972D+01  0.309883D+01 -0.726996D+00
               251           252           253           254           255 
      1   0.222329D+01  0.261425D+01 -0.200210D+01  0.793327D+00 -0.251665D+01
      2   0.463399D+01 -0.168458D+02  0.199500D+02  0.554786D+01  0.906796D+01
      3   0.463366D+01 -0.355472D+01 -0.166000D+02 -0.141898D+02 -0.123045D+01
               256           257           258           259           260 
      1  -0.153620D+01 -0.628748D+01 -0.619561D+01 -0.140821D+01 -0.140589D+01
      2   0.532787D+01 -0.478432D+00  0.910485D+01  0.676953D+01  0.101612D+02
      3  -0.491282D+01  0.256896D+02  0.151924D+01  0.997521D+00 -0.246439D+01
               261           262           263           264           265 
      1   0.817519D+01  0.125584D+00  0.462092D+00  0.109401D+01  0.533977D+00
      2  -0.153055D+02  0.171097D+01 -0.119713D+01  0.191143D+01 -0.246048D+01
      3  -0.711457D+01  0.375814D+01 -0.497131D+01  0.169248D+01 -0.942294D+01
               266           267           268           269           270 
      1  -0.326118D+01 -0.386718D+01 -0.457759D+00  0.622009D+00 -0.457783D+00
      2   0.598883D+01 -0.647757D+01  0.662851D+00 -0.184404D+01  0.225793D+01
      3   0.317905D+02 -0.678793D+01 -0.738966D+00  0.170966D+01  0.225089D+01
               271           272           273           274           275 
      1  -0.186159D+01 -0.773834D+00  0.484006D+00 -0.124722D+00 -0.258938D+01
      2   0.446588D+01  0.177859D+00 -0.237168D+01  0.130269D+01  0.332695D+01
      3   0.222171D+01  0.106571D+01  0.101274D+01  0.670643D+00  0.935866D+00
               276           277           278           279           280 
      1   0.220271D+01 -0.173835D+00  0.480434D+01 -0.107080D+02  0.883864D+00
      2  -0.582921D+01 -0.242823D+01 -0.256049D+01  0.246635D+02 -0.928581D+01
      3  -0.277489D+01  0.114531D+01 -0.439324D+01  0.291380D+01  0.150613D+02
               281           282           283           284           285 
      1   0.771620D+00 -0.200727D+01  0.986098D+00  0.562904D+00  0.335480D-01
      2  -0.290127D+00  0.796341D+01 -0.946020D+00 -0.102331D+01 -0.105735D+01
      3  -0.625399D+01 -0.691181D+00 -0.449226D+01 -0.102594D+01  0.244933D+00
               286           287           288           289           290 
      1  -0.190946D+01  0.837847D+00 -0.166372D+00  0.108451D+01 -0.706222D+00
      2   0.432287D+01 -0.597022D+00 -0.310114D+00 -0.846114D+00 -0.212810D+01
      3  -0.132902D+01  0.160070D+01  0.197256D+01 -0.480938D+01  0.794927D+01
               291           292           293           294           295 
      1   0.150925D+01 -0.430814D+00  0.622886D+01 -0.379181D+01  0.648827D+00
      2  -0.162110D+01 -0.955189D+00  0.465716D+01  0.387326D+01 -0.161062D+01
      3   0.643761D+00  0.448397D+01 -0.338830D+02 -0.301519D+01 -0.792429D+00
               296           297 
      1  -0.374766D+00 -0.152211D+00
      2   0.260329D+01  0.155240D+01
      3   0.127596D+01 -0.272008D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.190683D+01 -0.804604D+01  0.213860D+02  0.194466D+02 -0.308999D+01
      2   0.644550D+01  0.354031D+01 -0.782943D+01 -0.503854D+01  0.405914D+01
      3  -0.453868D+01  0.450573D+01 -0.135566D+02 -0.144081D+02 -0.969152D+00
      4  -0.352108D+01  0.427210D+01 -0.917696D+00  0.101395D+02  0.453913D+01
      5   0.166773D+02  0.103579D+01 -0.791961D+01 -0.422247D+01 -0.258492D+01
      6   0.153135D+01 -0.383883D+01 -0.164855D+01 -0.796680D+00  0.402355D+01
                 6             7             8             9            10 
      1  -0.165047D+02 -0.275537D+02 -0.104940D+02  0.368255D+01  0.578027D+02
      2   0.132286D+01  0.399336D+01  0.174360D+01  0.502073D+01 -0.224095D+02
      3   0.151818D+02  0.235603D+02  0.875044D+01 -0.870328D+01 -0.353932D+02
      4  -0.384140D+01  0.296470D+01 -0.258510D+01 -0.531366D+01 -0.120721D+02
      5  -0.388967D+01  0.749788D+01 -0.448159D+01  0.665684D+01 -0.272638D+01
      6   0.127558D+02 -0.620975D+01  0.658282D+01  0.145245D+02  0.522353D+00
                11            12            13            14            15 
      1   0.829275D+01 -0.523213D-01  0.109552D+02 -0.745105D+00  0.531432D+01
      2  -0.729136D+01  0.299387D+01 -0.112993D+02  0.665750D+01 -0.104583D+01
      3  -0.100139D+01 -0.294155D+01  0.344154D+00 -0.591239D+01 -0.426849D+01
      4   0.995749D+00 -0.405100D+01  0.175253D+02 -0.526554D+01 -0.124534D+01
      5  -0.460279D+01  0.716984D+01  0.999281D+01 -0.469083D+00 -0.235463D+01
      6   0.122030D+00 -0.701950D+01 -0.491635D+01  0.373190D+01  0.856414D+01
                16            17            18            19            20 
      1  -0.894156D+01  0.669322D+01 -0.162528D+02 -0.243201D+01  0.502941D+01
      2   0.124438D+00  0.477774D+01  0.419531D+00 -0.514007D+00 -0.238142D+01
      3   0.881712D+01 -0.114710D+02  0.158333D+02  0.294601D+01 -0.264799D+01
      4   0.151547D+02  0.230100D+00 -0.294943D+00  0.486530D+01 -0.136011D+01
      5  -0.129014D+02 -0.168716D+01 -0.469520D+01 -0.143086D+02  0.246986D+01
      6  -0.497815D+01  0.556470D+00 -0.478280D+01  0.166793D+01  0.549801D+01
                21            22            23            24            25 
      1  -0.265098D+02 -0.121634D+02 -0.459562D+01 -0.686618D+01  0.271580D+02
      2   0.662999D+01 -0.136432D+01  0.570647D+01  0.488208D+00 -0.253054D+01
      3   0.198798D+02  0.135277D+02 -0.111085D+01  0.637798D+01 -0.246274D+02
      4   0.255688D+01  0.443869D+01 -0.220763D+01  0.344201D+01  0.357471D+01
      5  -0.366578D+01  0.640591D+00  0.196319D+01  0.669621D+01  0.907138D+01
      6   0.697536D+01  0.113005D+01  0.320072D+01  0.839199D+01  0.117561D+02
                26            27            28            29            30 
      1  -0.871099D+01  0.706404D+01  0.257407D+02 -0.515109D+01  0.302619D+01
      2   0.146931D+01 -0.998050D+00 -0.788284D+01  0.798973D+01  0.599413D+00
      3   0.724168D+01 -0.606599D+01 -0.178578D+02 -0.283864D+01 -0.362560D+01
      4   0.503582D+01  0.726045D+01  0.173043D+02  0.402080D+01 -0.186064D+01
      5   0.597784D+01 -0.425642D+01  0.264538D+01 -0.128443D+01  0.865141D+01
      6   0.300900D+01  0.111071D+02  0.571884D+01 -0.105597D+01  0.577326D+01
                31            32            33            34            35 
      1  -0.302126D+01 -0.176547D+01  0.801308D+01 -0.814904D+01  0.898792D+01
      2   0.826773D+01  0.535179D+01 -0.256069D+01  0.243760D+01  0.337947D+01
      3  -0.524647D+01 -0.358631D+01 -0.545239D+01  0.571144D+01 -0.123674D+02
      4   0.159080D+02  0.289614D+00  0.167020D+01  0.112612D+02  0.582562D+01
      5   0.133590D+02 -0.296931D+00  0.223177D+01 -0.160878D+02  0.401192D+01
      6  -0.181108D+01  0.334293D+01  0.689033D+01 -0.800484D+00  0.460211D+00
                36            37            38            39            40 
      1  -0.189521D+02  0.961276D+01 -0.124742D+02  0.244469D+02  0.639723D+01
      2   0.298419D+01  0.239538D+00  0.120756D+02 -0.126535D+02  0.318912D+01
      3   0.159679D+02 -0.985230D+01  0.398618D+00 -0.117934D+02 -0.958635D+01
      4   0.146894D+01 -0.806328D+01 -0.903166D+00  0.342934D+01  0.162498D+02
      5  -0.978028D+00  0.147197D+02  0.156534D+01 -0.976136D+01  0.115602D+01
      6  -0.705041D+01 -0.189191D+01 -0.624481D+01  0.562738D+01  0.281654D+00
                41            42            43            44            45 
      1  -0.123696D+02 -0.488400D+01 -0.222986D+02 -0.365140D+01  0.869295D+01
      2   0.188461D+02 -0.112559D+02  0.251528D+01 -0.403928D+01 -0.149177D+01
      3  -0.647648D+01  0.161399D+02  0.197834D+02  0.769068D+01 -0.720118D+01
      4   0.735306D+01 -0.236226D+01 -0.205950D+01 -0.373587D+01 -0.680516D+01
      5  -0.123385D+01 -0.290869D+01  0.101100D+02 -0.722314D+01  0.721697D+01
      6  -0.732165D+01  0.654803D+01 -0.123099D+02  0.170015D+01  0.876261D+01
                46            47            48            49            50 
      1  -0.884105D+01  0.108314D+02 -0.263657D+02 -0.715668D+01 -0.167804D+02
      2   0.316252D+01 -0.105462D+02  0.943734D+01 -0.467270D+01  0.229426D+02
      3   0.567853D+01 -0.285126D+00  0.169284D+02  0.118294D+02 -0.616223D+01
      4   0.871588D+01  0.630384D-01  0.616159D+01  0.516101D+01 -0.646512D+01
      5  -0.149264D+02  0.567864D+01 -0.313500D+01  0.611742D+01  0.187474D+01
      6   0.484663D+01  0.639574D+01 -0.474296D+01 -0.231501D+00 -0.661706D+01
                51            52            53            54            55 
      1   0.322721D+01  0.403367D+02 -0.332220D+01  0.808318D+01 -0.456006D+02
      2  -0.110766D+02 -0.105949D+02 -0.144977D+01 -0.419250D+01  0.149145D+02
      3   0.784940D+01 -0.297419D+02  0.477197D+01 -0.389068D+01  0.306860D+02
      4   0.136200D+01 -0.347911D+01  0.539426D+00  0.679553D+01  0.441743D+01
      5   0.582280D+01  0.362278D+01  0.690905D+01 -0.705327D+01 -0.275163D+01
      6   0.400610D+01  0.115997D+02 -0.240509D+01  0.773899D+01  0.257176D+01
                56            57            58            59            60 
      1  -0.768800D+01 -0.264605D+01 -0.469602D+02 -0.324116D+02 -0.448400D+01
      2   0.543184D+01 -0.206798D+01  0.316228D+02  0.481240D+01  0.526372D+01
      3   0.225616D+01  0.471403D+01  0.153374D+02  0.275992D+02 -0.779723D+00
      4  -0.269591D+02  0.513638D-01 -0.559787D+02  0.266603D+02 -0.136604D+02
      5  -0.315012D+00 -0.117816D+02 -0.485481D+01 -0.142461D+02  0.569058D+00
      6   0.436247D+00  0.156249D+01 -0.208573D+01  0.498855D+01 -0.353716D+00
                61            62            63            64            65 
      1  -0.341868D+02 -0.786843D+01 -0.871854D+01 -0.578696D+02  0.142440D+02
      2   0.521598D+01  0.677870D+01  0.125222D+02  0.368657D+02 -0.169428D+01
      3   0.289709D+02  0.108973D+01 -0.380369D+01  0.210039D+02 -0.125497D+02
      4  -0.576582D+01 -0.242550D+02  0.826075D+01  0.162056D+02  0.314466D+02
      5  -0.270222D+02  0.540909D+01  0.407677D+02 -0.368375D+01  0.334260D+01
      6   0.429777D+01 -0.231729D+01 -0.671709D+01  0.799041D+00 -0.280095D+01
                66            67            68            69            70 
      1  -0.401717D+01  0.601280D+02  0.551728D+02 -0.620761D+00  0.219823D+02
      2  -0.704473D+00 -0.254730D+02 -0.299934D+02  0.277726D+01 -0.776179D+01
      3   0.472165D+01 -0.346550D+02 -0.251794D+02 -0.215650D+01 -0.142205D+02
      4   0.274765D+01  0.524590D+02 -0.147456D+02  0.183694D+02  0.706490D+01
      5   0.194464D+02  0.866402D+01  0.210216D+02  0.207733D+01  0.402660D+02
      6   0.391486D+01  0.381197D+01  0.541023D+01 -0.118448D+01  0.341719D+01
                71            72            73            74            75 
      1   0.151750D+01  0.374403D+02  0.562295D+02 -0.761692D+01 -0.616223D+01
      2   0.469811D+01 -0.110142D+02 -0.385340D+02 -0.798664D+01 -0.128808D+01
      3  -0.621562D+01 -0.264261D+02 -0.176955D+02  0.156036D+02  0.745031D+01
      4   0.237325D+02  0.501853D+01 -0.484004D+01 -0.315573D+02 -0.796624D+01
      5   0.397238D+01 -0.597800D+02 -0.559157D+01 -0.625588D+01 -0.136331D+02
      6   0.550152D+01 -0.760931D+01 -0.696431D+01 -0.244386D+01 -0.101065D+02
                76            77            78            79            80 
      1  -0.919898D+01 -0.336155D+02  0.427159D+01 -0.124549D+02  0.344779D+01
      2  -0.892814D+01  0.123748D+02 -0.131110D+02 -0.218344D+01 -0.164597D+02
      3   0.181271D+02  0.212407D+02  0.883941D+01  0.146383D+02  0.130119D+02
      4  -0.380233D+02 -0.145363D+02 -0.224364D+02 -0.798502D+01 -0.330111D+02
      5  -0.658651D+01 -0.221103D+02 -0.706229D+01 -0.224226D+02 -0.153914D+02
      6  -0.574821D+01 -0.182540D+02 -0.378457D+01 -0.116636D+02 -0.932949D+01
                81            82            83            84            85 
      1  -0.963149D+01  0.661548D+02 -0.176809D+02 -0.322000D+01 -0.330684D+02
      2   0.906732D+01 -0.354905D+02  0.804782D+01  0.163350D+00  0.148016D+02
      3   0.564169D+00 -0.306643D+02  0.963307D+01  0.305665D+01  0.182668D+02
      4  -0.206823D+02 -0.210394D+02 -0.405749D+02 -0.632773D+01 -0.661906D+02
      5   0.421454D+02 -0.687655D+01 -0.690814D+01 -0.335165D+02 -0.115633D+02
      6   0.209275D+02 -0.187873D+01 -0.535892D+01 -0.223790D+01 -0.105905D+02
                86            87            88            89            90 
      1  -0.580766D+02 -0.634655D+01 -0.151955D+02 -0.614692D+01 -0.482047D+02
      2   0.290764D+02  0.177117D+01  0.378964D+01  0.159973D+01  0.263518D+02
      3   0.290002D+02  0.457539D+01  0.114059D+02  0.454719D+01  0.218530D+02
      4   0.216215D+02 -0.443321D+02 -0.109226D+02 -0.429871D+02 -0.447910D+01
      5  -0.479590D+02 -0.324819D+01 -0.576734D+02 -0.312075D+01  0.505117D+02
      6  -0.936636D-02 -0.559271D+01 -0.411156D+01 -0.621181D+01  0.177115D+01
                91            92            93            94            95 
      1   0.665796D+00 -0.742986D+00 -0.683854D+01 -0.438537D+01 -0.203334D+02
      2  -0.454997D+01 -0.234121D+01  0.972728D+00  0.825997D+01  0.862562D+01
      3   0.388418D+01  0.308419D+01  0.586581D+01 -0.387461D+01  0.117078D+02
      4  -0.144706D+02 -0.204853D+02 -0.509845D+01 -0.469447D+02  0.225898D+02
      5  -0.200610D+02 -0.332005D+01 -0.126644D+02 -0.138493D+02 -0.818573D+01
      6  -0.184987D+01 -0.742719D+01 -0.758683D+01 -0.276940D+01  0.285631D+01
                96            97            98            99           100 
      1  -0.821419D+01 -0.213303D+02 -0.891659D+01 -0.553247D+01  0.763725D+01
      2   0.476454D+01  0.444836D+01 -0.133065D+01  0.640055D+01 -0.189770D+01
      3   0.344965D+01  0.168819D+02  0.102472D+02 -0.868075D+00 -0.573954D+01
      4  -0.807437D+01 -0.236283D+02 -0.857743D+01 -0.244563D+02  0.987337D+01
      5  -0.214098D+02 -0.224634D+02 -0.232273D+02  0.211236D+02  0.141706D+02
      6  -0.454019D+01 -0.111428D+02 -0.603554D+01  0.771910D+01 -0.655200D+01
               101           102           103           104           105 
      1   0.244608D+01  0.445106D+01  0.167483D+02  0.692375D+01  0.387810D+00
      2  -0.979398D+00 -0.304976D+01 -0.171124D+02  0.174359D+01  0.402953D+01
      3  -0.146669D+01 -0.140130D+01  0.364075D+00 -0.866733D+01 -0.441734D+01
      4   0.413345D+01 -0.498797D+01  0.387050D+01 -0.200658D+02  0.108106D+02
      5  -0.661679D+01 -0.496052D+01 -0.152514D+02  0.131603D+02  0.356534D+02
      6   0.531257D+01  0.806608D+01  0.731638D+01 -0.128468D+02 -0.191775D+02
               106           107           108           109           110 
      1   0.203955D+02 -0.233551D+01 -0.184322D+01  0.221064D+02 -0.149931D+02
      2  -0.158819D+01 -0.962137D+01  0.434849D+01 -0.134257D+02  0.704509D+01
      3  -0.188073D+02  0.119569D+02 -0.250527D+01 -0.868065D+01  0.794796D+01
      4  -0.172934D+02  0.346617D+02  0.277833D+02 -0.213132D+02  0.172662D+02
      5  -0.236182D+02  0.287946D+02  0.191128D+02 -0.318374D+02  0.998741D+01
      6   0.157441D+02 -0.225474D+02 -0.121683D+02  0.119813D+02 -0.358936D+01
               111           112           113           114           115 
      1  -0.232395D+02 -0.167146D+02 -0.619936D+01 -0.574081D+01 -0.330555D+02
      2   0.151046D+02  0.564523D+01  0.153552D+02  0.357787D+01  0.188553D+02
      3   0.813498D+01  0.110694D+02 -0.915589D+01  0.216293D+01  0.142003D+02
      4   0.126811D+02  0.297389D+02 -0.324338D+02 -0.253106D+02  0.293488D+02
      5   0.228455D+02  0.209657D+02 -0.277365D+02 -0.299437D+02  0.415152D+02
      6  -0.561032D+01 -0.952943D+01  0.253264D+02  0.266078D+02 -0.168398D+02
               116           117           118           119           120 
      1  -0.297761D+01 -0.342336D+01  0.830213D+01 -0.443157D+01  0.126049D+02
      2   0.677474D+01 -0.163356D+02 -0.770207D+01  0.936087D+01 -0.866497D+01
      3  -0.379713D+01  0.197590D+02 -0.600063D+00 -0.492929D+01 -0.393995D+01
      4  -0.362746D+02 -0.282480D+02  0.996790D+00 -0.999907D+01 -0.238756D+01
      5  -0.315379D+02 -0.697596D+02  0.108906D+02  0.201509D+01  0.736820D+01
      6   0.285212D+02  0.362939D+02 -0.369607D+01 -0.239503D+01 -0.147025D+01
               121           122           123           124           125 
      1   0.911344D-01 -0.592131D+01  0.409986D+01  0.189713D+02  0.135546D+01
      2   0.117808D+02 -0.182938D+02  0.379637D-01 -0.115859D+02 -0.608683D+00
      3  -0.118720D+02  0.242152D+02 -0.413782D+01 -0.738547D+01 -0.746776D+00
      4  -0.225007D+02  0.540780D+02 -0.126294D+01 -0.803309D+01  0.643844D+01
      5   0.378043D+01 -0.169538D+01 -0.201128D+01  0.178674D+02 -0.118455D+02
      6  -0.515929D+01  0.469529D+01  0.687186D+01 -0.453154D+01  0.131884D+02
               126           127           128           129           130 
      1  -0.796979D+00 -0.949062D+00 -0.954286D-01  0.359723D+01 -0.281658D+01
      2  -0.794495D+01 -0.558939D+01 -0.132910D+01  0.580402D+01 -0.425429D+00
      3   0.874193D+01  0.653845D+01  0.142452D+01 -0.940125D+01  0.324201D+01
      4  -0.111174D+02  0.915094D+00  0.259994D+01 -0.803339D+00  0.113355D+01
      5   0.316321D+02 -0.988433D+01 -0.264298D+01  0.127751D+02 -0.280847D+01
      6  -0.172306D+02  0.350597D+00 -0.154684D+01 -0.646688D+00 -0.104299D+01
               131           132           133           134           135 
      1  -0.346007D+01  0.804567D+01  0.431454D+01  0.491753D+01 -0.247361D+02
      2  -0.406349D+00  0.327313D+01  0.714422D+01  0.204559D+01 -0.150606D+02
      3   0.386642D+01 -0.113188D+02 -0.114588D+02 -0.696312D+01  0.397967D+02
      4   0.122557D+01 -0.140471D+01 -0.175177D+01 -0.301360D+01  0.185047D+01
      5  -0.273275D+01  0.452743D+01  0.124565D+02  0.415645D+01 -0.200897D+02
      6  -0.284529D+01  0.197064D+01  0.892906D+00  0.523409D+01 -0.251099D+01
               136           137           138           139           140 
      1   0.319949D+01  0.258791D+00 -0.102242D+01  0.480491D+00 -0.167953D+01
      2  -0.601693D+01  0.982132D+00 -0.481036D+01  0.220441D+01 -0.420074D+00
      3   0.281744D+01 -0.124092D+01  0.583278D+01 -0.268490D+01  0.209961D+01
      4  -0.154177D+01  0.355072D+01 -0.115625D+01  0.276515D+01 -0.327550D+01
      5   0.124003D+02 -0.292419D+01  0.107948D+02 -0.456970D+01  0.324270D+01
      6  -0.645519D+00  0.154620D+01 -0.897625D+00  0.951732D+00 -0.279060D+01
               141           142           143           144           145 
      1   0.524749D+01 -0.420046D+01  0.404517D+01 -0.136902D+02 -0.282065D+01
      2   0.263994D+01 -0.598836D+01  0.127086D+01 -0.945316D+01 -0.279446D+01
      3  -0.788743D+01  0.101888D+02 -0.531603D+01  0.231434D+02  0.561511D+01
      4   0.135635D+01 -0.179398D+01  0.286848D+01 -0.229216D+01  0.569883D+01
      5  -0.659719D+01  0.133313D+02 -0.438737D+01  0.172247D+02 -0.947912D+01
      6   0.221430D+01 -0.175047D+01  0.467709D+01 -0.363026D+01 -0.613672D+01
               146           147           148           149           150 
      1  -0.186332D+01  0.556446D+01 -0.294342D+01 -0.466586D+01  0.874005D+01
      2   0.256210D+00  0.279368D+01 -0.523341D+00  0.752487D+00  0.618944D+00
      3   0.160711D+01 -0.835814D+01  0.346676D+01  0.391338D+01 -0.935899D+01
      4   0.387810D+01 -0.562833D+01  0.246477D+01  0.169115D+01 -0.298898D+01
      5  -0.371466D+01  0.122151D+02 -0.371019D+01 -0.271187D+01  0.446814D+01
      6  -0.359428D+01  0.660440D+01 -0.322417D+01 -0.514562D+01  0.872479D+01
               151           152           153           154           155 
      1   0.819019D+01  0.112243D+02 -0.300098D+02  0.216400D+01  0.245589D+01
      2   0.197748D+01 -0.286233D+01 -0.523605D+01 -0.326260D+01 -0.191405D+01
      3  -0.101677D+02 -0.836195D+01  0.352459D+02  0.109860D+01 -0.541845D+00
      4  -0.573038D+01 -0.560045D+01  0.835470D+01 -0.105626D+02  0.745360D+01
      5   0.109846D+02  0.563892D+01 -0.180161D+02  0.157171D+02 -0.607915D+01
      6   0.882069D+01  0.129209D+02 -0.238715D+02 -0.910165D+01  0.575079D+01
               156           157           158           159           160 
      1  -0.218182D+01  0.434858D+00 -0.372717D+01  0.555007D+01 -0.488531D+01
      2  -0.229121D+01  0.109306D+01  0.162647D+01  0.241989D+00 -0.256570D+01
      3   0.447303D+01 -0.152792D+01  0.210071D+01 -0.579206D+01  0.745101D+01
      4  -0.842661D+01  0.486355D+01 -0.518403D+01  0.582243D+01 -0.883461D+01
      5   0.145993D+02 -0.764000D+01  0.499166D+01 -0.792403D+01  0.156900D+02
      6  -0.907766D+01  0.560059D+01 -0.597317D+01  0.852494D+01 -0.108885D+02
               161           162           163           164           165 
      1   0.838445D+01 -0.168968D+02  0.891173D+01  0.521126D-01 -0.770227D+01
      2  -0.332973D+01 -0.291019D+01 -0.829229D+01 -0.373490D+00  0.670171D+01
      3  -0.505472D+01  0.198070D+02 -0.619438D+00  0.321377D+00  0.100057D+01
      4   0.737332D+01 -0.110605D+02 -0.228830D+01  0.746080D+01  0.437264D+01
      5  -0.799239D+01  0.212892D+02 -0.143364D+02  0.298493D+01  0.156175D+02
      6   0.119060D+02 -0.192024D+02  0.223247D+01 -0.143645D+01 -0.217611D+01
               166           167           168           169           170 
      1   0.887041D+01  0.181842D+01 -0.205810D+01 -0.152506D+02 -0.286511D+01
      2  -0.557064D+01 -0.525405D+00  0.142979D+01  0.139607D+02  0.268399D+00
      3  -0.329976D+01 -0.129302D+01  0.628303D+00  0.128984D+01  0.259671D+01
      4   0.773200D+01 -0.405064D+01 -0.452473D+01  0.644563D+01 -0.866403D+01
      5  -0.718746D+00 -0.477051D+01  0.162819D+01  0.233411D+02 -0.902568D+01
      6  -0.170653D+01  0.140491D+01  0.536786D+01 -0.550835D+01  0.643321D+01
               171           172           173           174           175 
      1  -0.433145D+01  0.232230D+02 -0.955720D+01  0.401946D+01 -0.153806D+02
      2  -0.137887D+02 -0.470575D+01 -0.821025D-01 -0.956703D+00 -0.305262D+01
      3   0.181202D+02 -0.185172D+02  0.963930D+01 -0.306276D+01  0.184332D+02
      4  -0.118709D+02 -0.228651D+02  0.254800D+02 -0.196374D+01  0.378364D+02
      5  -0.454343D+02  0.526240D+01 -0.813059D+00  0.515262D+01 -0.183582D+01
      6   0.120803D+02 -0.144263D+01  0.638717D-01 -0.112627D+01  0.119360D+01
               176           177           178           179           180 
      1   0.108556D+01  0.294723D+00  0.216796D+02  0.657126D+00  0.167989D+01
      2   0.209403D+02 -0.276365D+01 -0.651900D+01 -0.433881D+01 -0.225565D+00
      3  -0.220259D+02  0.246893D+01 -0.151606D+02  0.368168D+01 -0.145432D+01
      4  -0.527395D+02  0.699659D+01 -0.107771D+02  0.174228D+02 -0.945483D+01
      5   0.645176D+01 -0.578682D+01  0.976644D+01 -0.827550D+01  0.276847D+01
      6  -0.207403D+01  0.465547D+01 -0.395688D+01  0.585652D+01 -0.241635D+01
               181           182           183           184           185 
      1  -0.164827D+01 -0.266850D+01  0.111248D+02 -0.926877D+01 -0.118240D+02
      2  -0.295475D+01  0.315255D+00 -0.293133D+01  0.405798D+01  0.557410D+01
      3   0.460303D+01  0.235324D+01 -0.819345D+01  0.521079D+01  0.624987D+01
      4  -0.465462D+01 -0.423874D+01  0.203948D+00 -0.301551D+01  0.115886D+01
      5   0.706153D+01 -0.229676D+00 -0.255089D+01  0.982398D+00  0.379990D+01
      6   0.137067D+01  0.229918D+00 -0.179093D+01 -0.607049D+00  0.105099D+00
               186           187           188           189           190 
      1  -0.171438D+00  0.215973D+02 -0.613465D+00 -0.246919D+02 -0.563289D+02
      2   0.782797D+00 -0.944680D+01  0.124982D+01 -0.844462D+01  0.323874D+02
      3  -0.611359D+00 -0.121505D+02 -0.636359D+00  0.331365D+02  0.239415D+02
      4   0.335231D+01  0.178559D+01  0.627858D+01 -0.173276D+01 -0.171769D+02
      5  -0.391319D+00 -0.110351D+01 -0.219559D+00  0.521384D+02  0.266048D+01
      6   0.715950D+01 -0.343092D+00  0.331211D+01  0.724386D+01  0.251826D+01
               191           192           193           194           195 
      1   0.151983D+02  0.184468D+01  0.629969D+01 -0.943200D+01 -0.752904D+00
      2  -0.152282D+02 -0.780370D+00 -0.720538D+01  0.931148D+01  0.161628D+01
      3   0.298625D-01 -0.106431D+01  0.905695D+00  0.120529D+00 -0.863373D+00
      4  -0.449569D+01  0.236610D+01  0.286267D+01 -0.236834D+00  0.220995D+01
      5   0.140531D+01 -0.159935D+01 -0.110990D+00  0.250298D+01  0.743322D+00
      6   0.359830D+00 -0.329594D+01  0.840282D+00  0.118329D+01  0.208474D+01
               196           197           198           199           200 
      1   0.366786D+01 -0.273334D+01 -0.523514D+01  0.235382D+01  0.190213D+01
      2  -0.119076D+01  0.329801D+01  0.213276D+01 -0.180820D+01  0.146857D+01
      3  -0.247711D+01 -0.564673D+00  0.310239D+01 -0.545618D+00 -0.337070D+01
      4   0.757147D+00  0.379826D+01  0.214771D+01  0.612354D+01  0.961374D+01
      5   0.163032D+01  0.309273D+01 -0.350040D+01 -0.105814D+02 -0.364096D+01
      6  -0.203815D+01  0.380574D+01 -0.145672D+01 -0.391436D+01 -0.203026D+01
               201           202           203           204           205 
      1  -0.710058D+01 -0.104929D+01 -0.583645D+00  0.260794D+01 -0.107795D+02
      2   0.557354D+01  0.263003D+01  0.214817D+01 -0.267220D+01  0.779609D+01
      3   0.152704D+01 -0.158074D+01 -0.156452D+01  0.642662D-01  0.298339D+01
      4  -0.569346D+01  0.615234D+01  0.681824D+01 -0.492584D+01 -0.928029D+01
      5   0.146846D+02 -0.374038D+00 -0.525681D+01  0.263590D+01  0.163046D+02
      6   0.568919D+01 -0.159915D+01 -0.291318D+01  0.754757D+01  0.776637D+01
               206           207           208           209           210 
      1   0.580936D+01 -0.648551D+01  0.131335D+02  0.962214D+01  0.536795D+01
      2  -0.546041D+01 -0.873604D+01  0.270640D+01  0.818816D+01  0.195641D+00
      3  -0.348949D+00  0.152215D+02 -0.158399D+02 -0.178103D+02 -0.556359D+01
      4  -0.138599D+02  0.172734D+02  0.273536D+02  0.350327D+02  0.860771D+01
      5   0.148276D+02 -0.506321D+02  0.796151D+01  0.614184D+01  0.901286D+01
      6   0.126354D+02 -0.290278D+02  0.516014D+01  0.491120D+01  0.617217D+01
               211           212           213           214           215 
      1   0.819495D+01 -0.323620D+01 -0.118819D+01  0.958643D+01 -0.206009D+01
      2   0.955097D+01  0.330674D+02  0.830993D+01 -0.371327D-03  0.129154D+02
      3  -0.177459D+02 -0.298312D+02 -0.712175D+01 -0.958606D+01 -0.108553D+02
      4   0.348554D+02  0.582615D+02  0.156560D+02  0.168054D+02  0.286455D+02
      5   0.672878D+01  0.141265D+02  0.104495D+02  0.115497D+02  0.145828D+02
      6   0.577345D+01  0.127459D+02  0.101631D+02  0.777607D+01  0.129369D+02
               216           217           218           219           220 
      1   0.101819D+01  0.272136D+02  0.101318D+01 -0.196187D+02  0.330022D+01
      2   0.277895D+01 -0.159488D+02 -0.341391D+00  0.109899D+02 -0.130880D+01
      3  -0.379714D+01 -0.112648D+02 -0.671790D+00  0.862884D+01 -0.199142D+01
      4   0.165109D+02  0.195799D+01  0.847672D+01  0.374063D+00  0.153656D+02
      5   0.887857D+01 -0.202839D+02  0.800880D+00  0.241590D+02  0.166635D+00
      6   0.816239D+01 -0.400717D+00  0.405389D+00  0.462845D+00 -0.966706D+00
               221           222           223           224           225 
      1   0.107164D+02  0.680596D+00 -0.504970D+02  0.184929D+01  0.308977D+02
      2  -0.544562D+01 -0.652375D+00  0.297211D+02 -0.158093D+01 -0.240390D+02
      3  -0.527082D+01 -0.282219D-01  0.207759D+02 -0.268363D+00 -0.685868D+01
      4  -0.173427D+01 -0.465605D+01 -0.436819D-01 -0.108101D+02  0.718894D+00
      5  -0.437254D+01  0.941889D+00  0.445507D+02 -0.376086D+00 -0.707448D+02
      6  -0.538219D+00  0.425953D+01  0.189107D+01  0.407892D+01 -0.239274D+01
               226           227           228           229           230 
      1   0.255492D+02 -0.200289D+02  0.101561D+02 -0.447200D+02  0.309665D+02
      2  -0.123670D+02  0.970498D+01 -0.552987D+01  0.221328D+02 -0.106733D+02
      3  -0.131822D+02  0.103239D+02 -0.462620D+01  0.225871D+02 -0.202932D+02
      4  -0.204497D+02  0.237538D+02 -0.709056D+01  0.420764D+02 -0.642001D+02
      5   0.119442D+02 -0.798364D+01  0.119422D+02 -0.155451D+02  0.250268D+02
      6  -0.260343D+01  0.205035D+01 -0.916977D+00  0.480658D+01 -0.733504D+01
               231           232           233           234           235 
      1  -0.953595D+01  0.211853D+02 -0.814930D+01  0.144007D+02  0.580012D+02
      2   0.600752D+01 -0.121732D+02  0.540294D+01 -0.104023D+02 -0.279386D+02
      3   0.352844D+01 -0.901204D+01  0.274635D+01 -0.399839D+01 -0.300626D+02
      4   0.233212D+02 -0.118294D+02  0.250860D+02 -0.147977D+02  0.334559D+02
      5  -0.198116D+02  0.223955D+02 -0.161813D+02  0.142611D+02  0.244563D+02
      6   0.588092D+01 -0.250448D+01  0.635424D+01 -0.433856D+01  0.546700D+01
               236           237           238           239           240 
      1   0.274401D+02  0.190398D+02  0.598523D+02  0.310916D+02  0.141651D+02
      2  -0.123097D+02 -0.101453D+02 -0.266264D+02 -0.918515D+01 -0.703599D+01
      3  -0.151305D+02 -0.889453D+01 -0.332260D+02 -0.219064D+02 -0.712909D+01
      4   0.281076D+02  0.123612D+02  0.484233D+02  0.438016D+02  0.226373D+02
      5   0.129083D+02  0.200849D+02  0.235784D+02  0.233533D+02  0.212903D+02
      6   0.327648D+01  0.294731D+01  0.758965D+01  0.762969D+01  0.678651D+01
               241           242           243           244           245 
      1   0.375780D+02  0.123136D+02  0.214662D+02  0.216729D+01  0.387296D+01
      2  -0.202360D+02 -0.602545D+01 -0.140197D+02 -0.377515D+01 -0.218364D+01
      3  -0.173420D+02 -0.628816D+01 -0.744643D+01  0.160786D+01 -0.168932D+01
      4   0.201866D+02  0.245328D+02  0.166629D+02  0.633017D+01  0.734728D+01
      5   0.340646D+02  0.171911D+02  0.210253D+02 -0.109540D+02 -0.290601D+01
      6   0.630391D+01  0.696549D+01  0.613681D+01 -0.451549D+01 -0.521222D+00
               246           247           248           249           250 
      1  -0.623906D+01  0.433507D+01 -0.109031D+00  0.197991D+01 -0.819522D+01
      2   0.462997D+01 -0.203569D+01  0.139821D+01 -0.170199D+01  0.763509D+01
      3   0.160909D+01 -0.229937D+01 -0.128918D+01 -0.277919D+00  0.560130D+00
      4  -0.378356D+01  0.109586D+02  0.707791D+01 -0.747420D+01 -0.630683D+01
      5   0.123325D+02 -0.397500D+01 -0.761754D+01  0.117572D+02  0.165617D+02
      6   0.261782D+01 -0.220082D+01 -0.627247D+01  0.842714D+01  0.446039D+01
               251           252           253           254           255 
      1   0.228930D+01 -0.440791D+01 -0.908353D+02 -0.102342D+02  0.634054D+01
      2   0.841565D+00 -0.931935D+01  0.452838D+02  0.137610D+02 -0.473529D+01
      3  -0.313086D+01  0.137273D+02  0.455515D+02 -0.352683D+01 -0.160525D+01
      4  -0.111560D+02  0.114421D+02 -0.147429D+02  0.270000D+02  0.115622D+02
      5   0.102174D+02 -0.360381D+02  0.109689D+02  0.864935D+01  0.154925D+02
      6   0.768672D+01 -0.132050D+02  0.894559D+01  0.712166D+01  0.564425D+01
               256           257           258           259           260 
      1   0.142010D+02  0.379678D+02  0.381889D+01  0.309691D+02  0.396088D+01
      2  -0.317921D+01 -0.410578D+02 -0.825869D+01 -0.133391D+02 -0.349323D+01
      3  -0.110218D+02  0.308995D+01  0.443980D+01 -0.176300D+02 -0.467652D+00
      4   0.309036D+02 -0.284683D+02  0.550237D+01  0.241315D+02  0.165158D+02
      5   0.142164D+02  0.829808D+01  0.195549D+02  0.228817D+02  0.212007D+02
      6   0.794022D+01 -0.425920D+01  0.670158D+01  0.100802D+02  0.910782D+01
               261           262           263           264           265 
      1   0.159046D+02  0.909104D+01 -0.104547D+02  0.337628D+01 -0.880391D+01
      2   0.593592D+01  0.155227D+01 -0.880775D+00 -0.325113D+00 -0.957453D+01
      3  -0.218405D+02 -0.106433D+02  0.113355D+02 -0.305117D+01  0.183784D+02
      4   0.246208D+02 -0.178001D+02  0.214963D+02 -0.513217D+01  0.353884D+02
      5  -0.179384D+02  0.657054D+01 -0.539047D+01  0.459219D+01 -0.988404D+01
      6  -0.250001D+01 -0.403088D+01  0.366834D+01 -0.180842D+01  0.725454D+01
               266           267           268           269           270 
      1  -0.241273D+01 -0.900915D-01  0.307675D+00  0.130692D+01 -0.500504D+00
      2   0.346866D+02 -0.606158D+01 -0.228271D+01  0.373386D+01  0.142567D+01
      3  -0.322739D+02  0.615167D+01  0.197503D+01 -0.504078D+01 -0.925166D+00
      4  -0.702448D+02  0.153348D+02  0.216967D+01 -0.402638D+01 -0.510683D+01
      5   0.165671D+02 -0.125386D+02  0.390743D+01 -0.519629D+01  0.560197D+01
      6  -0.155896D+02  0.860051D+01 -0.232573D+01  0.527286D+01 -0.352543D+01
               271           272           273           274           275 
      1   0.661488D+01  0.101413D+00  0.570255D+01 -0.705099D+01 -0.607295D+01
      2  -0.602781D+01 -0.114997D+01 -0.214198D+01  0.364050D+01  0.303929D+01
      3  -0.587071D+00  0.104856D+01 -0.356057D+01  0.341049D+01  0.303366D+01
      4  -0.866659D+00 -0.330905D+01 -0.348692D+00 -0.298255D+01 -0.292603D+01
      5   0.329197D+01 -0.173275D+01 -0.179172D+00 -0.456297D+01  0.366349D+01
      6  -0.392287D+00 -0.157250D+01 -0.127710D+01 -0.779972D+00 -0.261064D+00
               276           277           278           279           280 
      1  -0.317481D+00  0.104480D+02 -0.858249D-02 -0.119633D+02  0.136739D+03
      2   0.522743D+01 -0.700687D+01  0.465284D+01 -0.159901D+02 -0.643346D+02
      3  -0.490995D+01 -0.344114D+01 -0.464425D+01  0.279535D+02 -0.724040D+02
      4   0.406109D+01  0.483813D+01  0.900696D+01 -0.387673D+01  0.469588D+02
      5  -0.103665D+02  0.993188D+01 -0.279777D+01  0.439952D+02  0.123483D+02
      6   0.970974D+00  0.149233D+01  0.338838D+01  0.127551D+02  0.374171D+00
               281           282           283           284           285 
      1   0.128309D+02 -0.164360D+00 -0.490659D+01  0.721180D+01 -0.463835D+00
      2  -0.253233D+01 -0.855417D+00  0.529409D+01 -0.230518D-01  0.762732D+00
      3  -0.102986D+02  0.101978D+01 -0.387507D+00 -0.718874D+01 -0.298897D+00
      4   0.193010D+02  0.142802D+01  0.138542D+02  0.720720D+01 -0.861065D+00
      5   0.199652D+01  0.133421D+02 -0.133564D+01 -0.532071D+00 -0.197584D+01
      6   0.196197D+01  0.384838D+01  0.512553D+00  0.679329D+00  0.273599D+00
               286           287           288           289           290 
      1  -0.172929D+02 -0.207461D+01  0.898705D+01  0.150117D+01  0.147575D+02
      2   0.688557D+01  0.295416D-01 -0.663133D+01  0.222391D+01 -0.149334D+02
      3   0.104073D+02  0.204507D+01 -0.235572D+01 -0.372508D+01  0.175887D+00
      4  -0.781634D+01 -0.477378D+01  0.155449D+01  0.456264D+01 -0.791746D+01
      5   0.125641D+02 -0.245137D+00 -0.988330D-01 -0.175949D+01 -0.803704D+00
      6   0.334192D+01  0.741953D+00 -0.441732D+00 -0.415000D-01 -0.325413D+01
               291           292           293           294           295 
      1   0.638610D+00  0.115624D+02 -0.338144D+02 -0.341679D+01 -0.390437D+01
      2  -0.632004D+00 -0.415854D+01  0.558616D+02  0.367631D+01  0.689842D+00
      3  -0.660664D-02 -0.740381D+01 -0.220472D+02 -0.259526D+00  0.321453D+01
      4  -0.246228D+01  0.111713D+02  0.618730D+02  0.716210D+01 -0.315724D+01
      5  -0.282510D+01  0.304985D+01  0.446791D+01  0.717281D+01  0.912874D-01
      6  -0.246926D+01  0.467467D+00  0.125398D+02  0.776965D+01 -0.270891D+00
               296           297 
      1  -0.104334D+01 -0.573691D+01
      2  -0.154152D+01  0.412177D+01
      3   0.258485D+01  0.161514D+01
      4  -0.466155D+01  0.386536D+01
      5   0.469581D+01  0.237028D+01
      6   0.696291D+01  0.167215D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 15:12:43 2021, MaxMem=  6442450944 cpu:           72173.2 elap:            9030.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.20270 -19.14496 -10.32336 -10.21218 -10.20078
 Alpha  occ. eigenvalues --  -10.19500 -10.19084 -10.18977 -10.18929 -10.18824
 Alpha  occ. eigenvalues --  -10.18809 -10.18743 -10.18372 -10.17390 -10.16994
 Alpha  occ. eigenvalues --   -1.12100  -1.03106  -0.87512  -0.82936  -0.80445
 Alpha  occ. eigenvalues --   -0.75467  -0.75143  -0.68961  -0.68740  -0.67067
 Alpha  occ. eigenvalues --   -0.62712  -0.60972  -0.58479  -0.56406  -0.51872
 Alpha  occ. eigenvalues --   -0.49899  -0.48619  -0.48244  -0.46498  -0.45709
 Alpha  occ. eigenvalues --   -0.44892  -0.44304  -0.43567  -0.42491  -0.42218
 Alpha  occ. eigenvalues --   -0.41090  -0.39415  -0.38849  -0.38722  -0.37301
 Alpha  occ. eigenvalues --   -0.37020  -0.36598  -0.35153  -0.34186  -0.33557
 Alpha  occ. eigenvalues --   -0.33383  -0.32847  -0.32464  -0.28771  -0.26074
 Alpha  occ. eigenvalues --   -0.24484
 Alpha virt. eigenvalues --   -0.02797  -0.01983  -0.01429  -0.00684   0.00013
 Alpha virt. eigenvalues --    0.00176   0.00836   0.01091   0.01368   0.01674
 Alpha virt. eigenvalues --    0.02603   0.02910   0.03504   0.03595   0.04053
 Alpha virt. eigenvalues --    0.04104   0.05076   0.05681   0.05808   0.06352
 Alpha virt. eigenvalues --    0.06692   0.07364   0.07629   0.07928   0.08044
 Alpha virt. eigenvalues --    0.08384   0.08805   0.09118   0.09188   0.09416
 Alpha virt. eigenvalues --    0.09785   0.09932   0.10244   0.10498   0.10718
 Alpha virt. eigenvalues --    0.10929   0.11184   0.11329   0.11918   0.12217
 Alpha virt. eigenvalues --    0.12374   0.12545   0.12911   0.13180   0.13304
 Alpha virt. eigenvalues --    0.13697   0.14040   0.14427   0.14743   0.14933
 Alpha virt. eigenvalues --    0.15142   0.15524   0.15799   0.16143   0.16401
 Alpha virt. eigenvalues --    0.16686   0.17253   0.17988   0.18483   0.18685
 Alpha virt. eigenvalues --    0.18989   0.19261   0.19741   0.20024   0.20416
 Alpha virt. eigenvalues --    0.20619   0.20813   0.21716   0.22413   0.22664
 Alpha virt. eigenvalues --    0.22831   0.23044   0.23193   0.23607   0.23936
 Alpha virt. eigenvalues --    0.24084   0.24234   0.24891   0.25044   0.25364
 Alpha virt. eigenvalues --    0.25469   0.25886   0.26163   0.26400   0.26812
 Alpha virt. eigenvalues --    0.27290   0.28070   0.28284   0.28491   0.28663
 Alpha virt. eigenvalues --    0.29604   0.29833   0.30238   0.30644   0.30720
 Alpha virt. eigenvalues --    0.31279   0.31467   0.32002   0.32825   0.33048
 Alpha virt. eigenvalues --    0.33346   0.33858   0.34059   0.34531   0.34960
 Alpha virt. eigenvalues --    0.35263   0.35835   0.35886   0.36221   0.36713
 Alpha virt. eigenvalues --    0.36919   0.37530   0.37629   0.37764   0.38068
 Alpha virt. eigenvalues --    0.38233   0.38872   0.39176   0.39514   0.39927
 Alpha virt. eigenvalues --    0.40149   0.40377   0.40735   0.42001   0.42499
 Alpha virt. eigenvalues --    0.42724   0.43251   0.43752   0.44306   0.44609
 Alpha virt. eigenvalues --    0.44972   0.45583   0.45823   0.46411   0.46773
 Alpha virt. eigenvalues --    0.47006   0.47290   0.48089   0.48172   0.48446
 Alpha virt. eigenvalues --    0.49215   0.49692   0.50291   0.50789   0.51079
 Alpha virt. eigenvalues --    0.51372   0.51605   0.52579   0.52760   0.53355
 Alpha virt. eigenvalues --    0.53865   0.54292   0.55040   0.55313   0.55749
 Alpha virt. eigenvalues --    0.56393   0.56814   0.56923   0.57319   0.57675
 Alpha virt. eigenvalues --    0.58032   0.58385   0.58805   0.59405   0.59854
 Alpha virt. eigenvalues --    0.60231   0.60832   0.61380   0.61670   0.61779
 Alpha virt. eigenvalues --    0.62373   0.62525   0.63153   0.63498   0.63998
 Alpha virt. eigenvalues --    0.64267   0.64597   0.64960   0.65324   0.66036
 Alpha virt. eigenvalues --    0.66575   0.66735   0.66860   0.67540   0.67979
 Alpha virt. eigenvalues --    0.68685   0.69088   0.69414   0.69669   0.70074
 Alpha virt. eigenvalues --    0.70415   0.71227   0.71528   0.72382   0.72719
 Alpha virt. eigenvalues --    0.73240   0.73870   0.74076   0.74586   0.75704
 Alpha virt. eigenvalues --    0.76019   0.76228   0.76832   0.77120   0.77561
 Alpha virt. eigenvalues --    0.78018   0.78641   0.79363   0.79466   0.80040
 Alpha virt. eigenvalues --    0.80724   0.81032   0.81879   0.82122   0.82634
 Alpha virt. eigenvalues --    0.83224   0.83649   0.84546   0.85037   0.85687
 Alpha virt. eigenvalues --    0.86128   0.86747   0.87742   0.88127   0.89218
 Alpha virt. eigenvalues --    0.90073   0.90144   0.91013   0.91963   0.93058
 Alpha virt. eigenvalues --    0.93732   0.94032   0.94554   0.95100   0.95858
 Alpha virt. eigenvalues --    0.97047   0.98241   0.98745   0.99824   1.00494
 Alpha virt. eigenvalues --    1.01768   1.02696   1.03061   1.03920   1.04862
 Alpha virt. eigenvalues --    1.05755   1.06092   1.07288   1.07560   1.09197
 Alpha virt. eigenvalues --    1.09906   1.11358   1.12226   1.13457   1.14067
 Alpha virt. eigenvalues --    1.14973   1.15405   1.16164   1.16545   1.17544
 Alpha virt. eigenvalues --    1.19297   1.19860   1.20687   1.21178   1.21802
 Alpha virt. eigenvalues --    1.23141   1.25696   1.25774   1.26737   1.28980
 Alpha virt. eigenvalues --    1.30605   1.33334   1.33972   1.34250   1.35109
 Alpha virt. eigenvalues --    1.36203   1.37428   1.37850   1.38595   1.39304
 Alpha virt. eigenvalues --    1.39841   1.42120   1.43673   1.44311   1.45312
 Alpha virt. eigenvalues --    1.46731   1.46987   1.47314   1.47523   1.48749
 Alpha virt. eigenvalues --    1.49985   1.50695   1.52151   1.52631   1.53354
 Alpha virt. eigenvalues --    1.54226   1.55674   1.56042   1.56921   1.57768
 Alpha virt. eigenvalues --    1.58163   1.58998   1.59921   1.60926   1.61403
 Alpha virt. eigenvalues --    1.62388   1.63076   1.64138   1.65286   1.66467
 Alpha virt. eigenvalues --    1.66859   1.68355   1.69102   1.69717   1.70178
 Alpha virt. eigenvalues --    1.70570   1.71653   1.71979   1.72972   1.73141
 Alpha virt. eigenvalues --    1.74420   1.74832   1.75826   1.76209   1.78043
 Alpha virt. eigenvalues --    1.78369   1.78472   1.79719   1.81036   1.82144
 Alpha virt. eigenvalues --    1.82406   1.83260   1.85153   1.85341   1.86878
 Alpha virt. eigenvalues --    1.87159   1.87524   1.89258   1.89832   1.90434
 Alpha virt. eigenvalues --    1.90774   1.91324   1.91892   1.93039   1.93679
 Alpha virt. eigenvalues --    1.94982   1.95785   1.97317   1.97777   1.98380
 Alpha virt. eigenvalues --    1.98928   1.99800   2.00321   2.02032   2.03359
 Alpha virt. eigenvalues --    2.03469   2.04449   2.05362   2.06353   2.07912
 Alpha virt. eigenvalues --    2.08555   2.09875   2.10309   2.10664   2.10925
 Alpha virt. eigenvalues --    2.12305   2.13766   2.14305   2.15410   2.16347
 Alpha virt. eigenvalues --    2.17082   2.18022   2.18726   2.21364   2.21480
 Alpha virt. eigenvalues --    2.22572   2.23247   2.25054   2.25675   2.27689
 Alpha virt. eigenvalues --    2.28010   2.28973   2.29844   2.30807   2.31320
 Alpha virt. eigenvalues --    2.31848   2.32099   2.33831   2.34630   2.36877
 Alpha virt. eigenvalues --    2.38412   2.38924   2.39245   2.42611   2.45219
 Alpha virt. eigenvalues --    2.45831   2.47770   2.48095   2.49247   2.49874
 Alpha virt. eigenvalues --    2.51256   2.53333   2.54976   2.57522   2.58029
 Alpha virt. eigenvalues --    2.59237   2.59921   2.60655   2.61752   2.64081
 Alpha virt. eigenvalues --    2.67195   2.67819   2.69659   2.70249   2.71339
 Alpha virt. eigenvalues --    2.72534   2.74758   2.77020   2.78859   2.81286
 Alpha virt. eigenvalues --    2.84078   2.85951   2.87947   2.89683   2.91875
 Alpha virt. eigenvalues --    2.95228   3.03807   3.06456   3.07226   3.10327
 Alpha virt. eigenvalues --    3.12314   3.19005   3.27210   3.33748   3.35014
 Alpha virt. eigenvalues --    3.38662   3.39751   3.43023   3.45753   3.47216
 Alpha virt. eigenvalues --    3.49220   3.52856   3.58338   3.64586   3.68500
 Alpha virt. eigenvalues --    3.73889   3.84460   3.92804   4.06606   4.77293
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   50.434034 -18.283447 -23.772933  11.129193 -13.033964   4.218599
     2  C  -18.283447  31.371804  11.729607 -11.241145   3.966712 -11.338605
     3  C  -23.772933  11.729607  50.116525 -16.791747   4.124013 -12.676162
     4  C   11.129193 -11.241145 -16.791747  34.832690 -11.636317   3.960071
     5  C  -13.033964   3.966712   4.124013 -11.636317  41.848561 -17.788893
     6  C    4.218599 -11.338605 -12.676162   3.960071 -17.788893  40.544851
     7  C   -3.638090  -1.334711   0.327185  -1.785140   0.555216  -0.148161
     8  C   -0.506157   0.560267  -0.056317  -0.175397   0.069878  -0.288890
     9  C    0.425880  -0.344630  -0.107280   0.009852  -0.164204  -0.078841
    10  C   -0.171927  -0.110274  -0.004769  -0.002289   0.085983   0.029233
    11  C    0.684328  -1.373342  -3.505861  -5.972033  -0.401525   0.763931
    12  C    0.188829  -0.109520  -0.922149   0.412504  -0.488178  -0.129133
    13  O   -0.023298   0.005191   0.004409   0.124506   0.039469   0.044760
    14  O   -0.117659   0.005741   0.186138   0.212870   0.037992  -0.004832
    15  H   -6.112747   2.953032   2.440492  -1.488643   0.252999   0.194718
    16  H    2.760777  -0.954358  -5.534479   1.478668   0.224885  -0.005018
    17  H    0.024836  -0.380552  -0.362626   1.169378  -4.645684   2.644777
    18  H   -0.410819   0.733356   0.070835  -0.188240   2.725439  -4.102533
    19  H    1.205791  -0.291333   0.263334   0.220570  -0.293993  -0.679226
    20  H   -0.097119  -0.445164  -0.126785   0.068619   0.224355   0.528974
    21  H    0.123628  -0.059756   0.084318   0.065696   0.020101   0.053624
    22  H    0.095954  -0.029142  -0.105690   0.045903   0.029513   0.014087
    23  H    0.149616  -0.024444   0.042574   0.022432  -0.001030  -0.010896
    24  H   -0.123395   0.053616   0.025062  -0.024140   0.028031  -0.011942
    25  H   -0.003334   0.044958   0.025652  -0.000659   0.002822   0.025600
    26  H   -0.013592   0.216746  -0.006621   0.014678   0.026482  -0.001301
    27  H    0.012014  -0.141589  -0.009684  -0.004786  -0.011878  -0.022363
    28  H   -0.001379   0.025522  -0.018555   0.870324   0.010756  -0.099658
    29  C    0.011464  -0.255984  -0.436352  -0.512121  -0.010807   0.061627
    30  H    0.015198  -0.007436  -0.030201  -0.046790  -0.007440   0.010809
    31  H    0.026194  -0.174755  -0.515453  -0.113106   0.082455   0.121567
    32  H   -0.032482   0.103458   0.331636   1.250832  -0.282441  -0.100863
    33  H    0.064265  -0.098877  -0.120307  -0.762228   0.203746   0.121879
               7          8          9         10         11         12
     1  C   -3.638090  -0.506157   0.425880  -0.171927   0.684328   0.188829
     2  C   -1.334711   0.560267  -0.344630  -0.110274  -1.373342  -0.109520
     3  C    0.327185  -0.056317  -0.107280  -0.004769  -3.505861  -0.922149
     4  C   -1.785140  -0.175397   0.009852  -0.002289  -5.972033   0.412504
     5  C    0.555216   0.069878  -0.164204   0.085983  -0.401525  -0.488178
     6  C   -0.148161  -0.288890  -0.078841   0.029233   0.763931  -0.129133
     7  C   14.261717  -1.088151   0.369164   0.297094  -0.577339  -0.031350
     8  C   -1.088151  10.327717  -0.688374  -0.348678  -0.005155   0.008693
     9  C    0.369164  -0.688374   4.958414  -0.219917  -0.018227  -0.005838
    10  C    0.297094  -0.348678  -0.219917   5.128402  -0.007191   0.001226
    11  C   -0.577339  -0.005155  -0.018227  -0.007191  19.813528  -1.896841
    12  C   -0.031350   0.008693  -0.005838   0.001226  -1.896841   8.198996
    13  O    0.003564  -0.000650   0.000578   0.000018   0.033268  -0.173281
    14  O   -0.003626   0.000615  -0.000741   0.000059  -0.603456  -0.056136
    15  H    0.188729   0.023076  -0.027831   0.014856  -0.056234   0.023050
    16  H    0.106208   0.004897   0.006896   0.000311   0.115522   0.127656
    17  H    0.146740  -0.018273   0.003015  -0.000318   0.036074  -0.004849
    18  H   -0.444016   0.043733  -0.037309   0.029233   0.144197   0.002419
    19  H   -1.335828   0.021169   0.004522  -0.113750   0.004572  -0.006245
    20  H   -0.938531   0.158605   0.058543  -0.065025  -0.025083   0.002325
    21  H   -0.094263  -2.078564   0.260618  -0.108862   0.009021   0.000754
    22  H   -0.171029   0.377790   0.093314  -0.138104  -0.016717   0.001277
    23  H   -0.352065   0.023833   0.113470  -0.092562   0.000789  -0.000013
    24  H    0.137022  -0.069397  -0.010910   0.118751   0.002012  -0.000267
    25  H    0.032985  -0.372366  -0.074183   0.375126  -0.000339   0.000276
    26  H   -0.236622   0.355181  -0.082984  -0.016764   0.002056   0.000050
    27  H    0.070079   0.325263   0.083907  -0.053001  -0.001557  -0.000035
    28  H   -0.017098   0.004720  -0.001831  -0.000355  -2.367035   0.216834
    29  C   -0.078215  -0.007638   0.000148   0.000185   0.663402   0.137311
    30  H   -0.000459   0.000138  -0.000152   0.000051   0.213671  -0.200896
    31  H   -0.016519  -0.000502  -0.000539  -0.000014   0.180694   0.058970
    32  H    0.003845  -0.000664   0.000197  -0.000038  -0.988297  -0.058992
    33  H   -0.019025   0.000592  -0.000124   0.000100   0.739127  -0.013693
              13         14         15         16         17         18
     1  C   -0.023298  -0.117659  -6.112747   2.760777   0.024836  -0.410819
     2  C    0.005191   0.005741   2.953032  -0.954358  -0.380552   0.733356
     3  C    0.004409   0.186138   2.440492  -5.534479  -0.362626   0.070835
     4  C    0.124506   0.212870  -1.488643   1.478668   1.169378  -0.188240
     5  C    0.039469   0.037992   0.252999   0.224885  -4.645684   2.725439
     6  C    0.044760  -0.004832   0.194718  -0.005018   2.644777  -4.102533
     7  C    0.003564  -0.003626   0.188729   0.106208   0.146740  -0.444016
     8  C   -0.000650   0.000615   0.023076   0.004897  -0.018273   0.043733
     9  C    0.000578  -0.000741  -0.027831   0.006896   0.003015  -0.037309
    10  C    0.000018   0.000059   0.014856   0.000311  -0.000318   0.029233
    11  C    0.033268  -0.603456  -0.056234   0.115522   0.036074   0.144197
    12  C   -0.173281  -0.056136   0.023050   0.127656  -0.004849   0.002419
    13  O    8.513749   0.004679  -0.000515  -0.013517   0.005023  -0.000257
    14  O    0.004679   8.450322  -0.000285  -0.093779   0.007023  -0.000708
    15  H   -0.000515  -0.000285   4.418119  -0.433025   0.030575  -0.067963
    16  H   -0.013517  -0.093779  -0.433025   4.615867  -0.071114   0.024649
    17  H    0.005023   0.007023   0.030575  -0.071114   4.103716  -0.394268
    18  H   -0.000257  -0.000708  -0.067963   0.024649  -0.394268   4.085264
    19  H    0.000262  -0.000285  -0.186061   0.007885  -0.008342   0.038086
    20  H    0.000093   0.000017   0.049918  -0.010056   0.013675  -0.098816
    21  H   -0.000341   0.000090   0.001761   0.000595  -0.001304  -0.066948
    22  H    0.000457   0.000196  -0.010258  -0.000001  -0.001964   0.015468
    23  H   -0.000014   0.000090  -0.016071  -0.000605   0.000829  -0.009430
    24  H    0.000090  -0.000178   0.004496   0.000610  -0.000505  -0.000535
    25  H   -0.000006   0.000008   0.012435  -0.000513  -0.000258   0.003613
    26  H    0.000001   0.000001  -0.001260   0.000293  -0.000030   0.014405
    27  H    0.000006   0.000011  -0.003101  -0.000024   0.000216  -0.004823
    28  H    0.053533   0.077090  -0.000465  -0.013512  -0.205482   0.006173
    29  C   -0.018936   0.066404   0.006643  -0.063040   0.022950   0.013664
    30  H   -0.024591   0.286273   0.001421   0.010064  -0.000615  -0.000010
    31  H   -0.001246   0.027745   0.007729  -0.137210   0.000734   0.001002
    32  H    0.009819   0.016143  -0.003782   0.027087   0.010725  -0.000610
    33  H    0.000154   0.014653   0.003356  -0.016949  -0.004973   0.002212
              19         20         21         22         23         24
     1  C    1.205791  -0.097119   0.123628   0.095954   0.149616  -0.123395
     2  C   -0.291333  -0.445164  -0.059756  -0.029142  -0.024444   0.053616
     3  C    0.263334  -0.126785   0.084318  -0.105690   0.042574   0.025062
     4  C    0.220570   0.068619   0.065696   0.045903   0.022432  -0.024140
     5  C   -0.293993   0.224355   0.020101   0.029513  -0.001030   0.028031
     6  C   -0.679226   0.528974   0.053624   0.014087  -0.010896  -0.011942
     7  C   -1.335828  -0.938531  -0.094263  -0.171029  -0.352065   0.137022
     8  C    0.021169   0.158605  -2.078564   0.377790   0.023833  -0.069397
     9  C    0.004522   0.058543   0.260618   0.093314   0.113470  -0.010910
    10  C   -0.113750  -0.065025  -0.108862  -0.138104  -0.092562   0.118751
    11  C    0.004572  -0.025083   0.009021  -0.016717   0.000789   0.002012
    12  C   -0.006245   0.002325   0.000754   0.001277  -0.000013  -0.000267
    13  O    0.000262   0.000093  -0.000341   0.000457  -0.000014   0.000090
    14  O   -0.000285   0.000017   0.000090   0.000196   0.000090  -0.000178
    15  H   -0.186061   0.049918   0.001761  -0.010258  -0.016071   0.004496
    16  H    0.007885  -0.010056   0.000595  -0.000001  -0.000605   0.000610
    17  H   -0.008342   0.013675  -0.001304  -0.001964   0.000829  -0.000505
    18  H    0.038086  -0.098816  -0.066948   0.015468  -0.009430  -0.000535
    19  H    3.167531  -0.475024   0.124863  -0.021230   0.029490   0.014834
    20  H   -0.475024   2.867187   0.016109   0.043295   0.014762  -0.017256
    21  H    0.124863   0.016109   3.468276  -0.085156   0.162660  -0.068628
    22  H   -0.021230   0.043295  -0.085156   2.195925  -0.338100  -0.641392
    23  H    0.029490   0.014762   0.162660  -0.338100   2.042136  -0.500511
    24  H    0.014834  -0.017256  -0.068628  -0.641392  -0.500511   2.486369
    25  H   -0.070121  -0.012889   0.137844   0.008658  -0.005060  -0.015609
    26  H    0.014666  -0.101829  -0.101958  -0.031261  -0.001361   0.041449
    27  H    0.017499   0.039273  -0.119160   0.028960  -0.021197  -0.051814
    28  H    0.000312  -0.001560   0.000021  -0.000298  -0.000260   0.000305
    29  C   -0.001987  -0.002583   0.000231   0.001911   0.000505  -0.000163
    30  H   -0.000281   0.000100   0.000018  -0.000040  -0.000020  -0.000004
    31  H   -0.001436  -0.000042  -0.000051   0.000964  -0.000064  -0.000067
    32  H    0.000292   0.000308   0.000054   0.000145   0.000068   0.000019
    33  H   -0.000442  -0.000843   0.000173  -0.000468   0.000050  -0.000032
              25         26         27         28         29         30
     1  C   -0.003334  -0.013592   0.012014  -0.001379   0.011464   0.015198
     2  C    0.044958   0.216746  -0.141589   0.025522  -0.255984  -0.007436
     3  C    0.025652  -0.006621  -0.009684  -0.018555  -0.436352  -0.030201
     4  C   -0.000659   0.014678  -0.004786   0.870324  -0.512121  -0.046790
     5  C    0.002822   0.026482  -0.011878   0.010756  -0.010807  -0.007440
     6  C    0.025600  -0.001301  -0.022363  -0.099658   0.061627   0.010809
     7  C    0.032985  -0.236622   0.070079  -0.017098  -0.078215  -0.000459
     8  C   -0.372366   0.355181   0.325263   0.004720  -0.007638   0.000138
     9  C   -0.074183  -0.082984   0.083907  -0.001831   0.000148  -0.000152
    10  C    0.375126  -0.016764  -0.053001  -0.000355   0.000185   0.000051
    11  C   -0.000339   0.002056  -0.001557  -2.367035   0.663402   0.213671
    12  C    0.000276   0.000050  -0.000035   0.216834   0.137311  -0.200896
    13  O   -0.000006   0.000001   0.000006   0.053533  -0.018936  -0.024591
    14  O    0.000008   0.000001   0.000011   0.077090   0.066404   0.286273
    15  H    0.012435  -0.001260  -0.003101  -0.000465   0.006643   0.001421
    16  H   -0.000513   0.000293  -0.000024  -0.013512  -0.063040   0.010064
    17  H   -0.000258  -0.000030   0.000216  -0.205482   0.022950  -0.000615
    18  H    0.003613   0.014405  -0.004823   0.006173   0.013664  -0.000010
    19  H   -0.070121   0.014666   0.017499   0.000312  -0.001987  -0.000281
    20  H   -0.012889  -0.101829   0.039273  -0.001560  -0.002583   0.000100
    21  H    0.137844  -0.101958  -0.119160   0.000021   0.000231   0.000018
    22  H    0.008658  -0.031261   0.028960  -0.000298   0.001911  -0.000040
    23  H   -0.005060  -0.001361  -0.021197  -0.000260   0.000505  -0.000020
    24  H   -0.015609   0.041449  -0.051814   0.000305  -0.000163  -0.000004
    25  H    1.925604  -0.333217  -0.478962   0.000038   0.000108   0.000013
    26  H   -0.333217   2.103184  -0.549989   0.000074   0.000164  -0.000003
    27  H   -0.478962  -0.549989   2.201323  -0.000094  -0.000099   0.000003
    28  H    0.000038   0.000074  -0.000094   3.014633   0.082983   0.006607
    29  C    0.000108   0.000164  -0.000099   0.082983   4.857865  -0.020593
    30  H    0.000013  -0.000003   0.000003   0.006607  -0.020593   0.635716
    31  H    0.000036  -0.000010  -0.000004   0.105435   0.557689  -0.007874
    32  H    0.000002   0.000005  -0.000009  -0.003549  -0.366426  -0.001315
    33  H    0.000012   0.000050  -0.000008  -0.026682  -0.057058   0.004343
              31         32         33
     1  C    0.026194  -0.032482   0.064265
     2  C   -0.174755   0.103458  -0.098877
     3  C   -0.515453   0.331636  -0.120307
     4  C   -0.113106   1.250832  -0.762228
     5  C    0.082455  -0.282441   0.203746
     6  C    0.121567  -0.100863   0.121879
     7  C   -0.016519   0.003845  -0.019025
     8  C   -0.000502  -0.000664   0.000592
     9  C   -0.000539   0.000197  -0.000124
    10  C   -0.000014  -0.000038   0.000100
    11  C    0.180694  -0.988297   0.739127
    12  C    0.058970  -0.058992  -0.013693
    13  O   -0.001246   0.009819   0.000154
    14  O    0.027745   0.016143   0.014653
    15  H    0.007729  -0.003782   0.003356
    16  H   -0.137210   0.027087  -0.016949
    17  H    0.000734   0.010725  -0.004973
    18  H    0.001002  -0.000610   0.002212
    19  H   -0.001436   0.000292  -0.000442
    20  H   -0.000042   0.000308  -0.000843
    21  H   -0.000051   0.000054   0.000173
    22  H    0.000964   0.000145  -0.000468
    23  H   -0.000064   0.000068   0.000050
    24  H   -0.000067   0.000019  -0.000032
    25  H    0.000036   0.000002   0.000012
    26  H   -0.000010   0.000005   0.000050
    27  H   -0.000004  -0.000009  -0.000008
    28  H    0.105435  -0.003549  -0.026682
    29  C    0.557689  -0.366426  -0.057058
    30  H   -0.007874  -0.001315   0.004343
    31  H    1.800095  -0.464220  -0.317043
    32  H   -0.464220   2.351972  -0.418638
    33  H   -0.317043  -0.418638   2.014633
 Mulliken charges:
               1
     1  C    0.771743
     2  C    1.229054
     3  C    1.332191
     4  C    0.855993
     5  C    0.206946
     6  C    0.148206
     7  C    1.810690
     8  C   -0.600996
     9  C    1.475398
    10  C    1.373209
    11  C    0.410041
    12  C    0.716247
    13  O   -0.586979
    14  O   -0.512476
    15  H   -1.219164
    16  H   -1.165674
    17  H   -1.119129
    18  H   -1.126462
    19  H   -0.650097
    20  H   -0.667553
    21  H   -0.745462
    22  H   -0.362971
    23  H   -0.229601
    24  H   -0.375922
    25  H   -0.228271
    26  H   -0.310684
    27  H   -0.304380
    28  H   -0.717549
    29  C    1.346748
    30  H    0.164296
    31  H   -0.221155
    32  H   -0.384280
    33  H   -0.311957
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.447421
     2  C    1.229054
     3  C    0.166517
     4  C    0.855993
     5  C   -0.912183
     6  C   -0.978256
     7  C    0.493040
     8  C   -1.346458
     9  C    0.506904
    10  C    0.529874
    11  C   -0.307508
    12  C    0.716247
    13  O   -0.586979
    14  O   -0.348180
    29  C    0.429356
 Electronic spatial extent (au):  <R**2>=           4613.8809
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.8429    Y=             -0.7708    Z=             -1.4403  Tot=              1.8382
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -90.1624   YY=            -91.9039   ZZ=            -93.7042
   XY=              2.0081   XZ=              6.5800   YZ=             -6.3842
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.7611   YY=              0.0196   ZZ=             -1.7807
   XY=              2.0081   XZ=              6.5800   YZ=             -6.3842
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -31.0895  YYY=             26.4118  ZZZ=             -4.8951  XYY=            -20.1170
  XXY=             -3.5458  XXZ=            -20.8828  XZZ=              7.9049  YZZ=             -4.6077
  YYZ=             -5.0248  XYZ=             17.4626
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5059.5660 YYYY=           -715.8613 ZZZZ=           -513.2755 XXXY=            -24.9826
 XXXZ=             91.7901 YYYX=            -85.8888 YYYZ=            -23.2069 ZZZX=             11.2372
 ZZZY=            -22.1624 XXYY=           -914.4110 XXZZ=           -968.6842 YYZZ=           -219.5259
 XXYZ=            -63.2469 YYXZ=             44.6454 ZZXY=             11.1363
 N-N= 9.726167109656D+02 E-N=-3.472616434495D+03  KE= 6.529461102041D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 15:12:45 2021, MaxMem=  6442450944 cpu:               5.2 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.14295476D-01-2.73838548D-01-5.59695094D-01
 Polarizability= 2.07574945D+02-1.91561303D+00 1.29421724D+02
                -1.16276622D-01-6.93531923D+00 1.42423764D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.1498    0.1474       -1.2676   -1.2667
 2     -0.1498   -0.1474        3.5943    3.5912      -43.8497  -43.8556
 3      1.2676    1.2667       37.2820   37.2878       -3.5935   -3.5912
 4     -3.5943   -3.5912        0.0000    0.0000        1.2653    1.2667
 5      6.5677    6.5679       -1.2653   -1.2667        0.1411    0.1474
 6      3.5935    3.5912       -0.1411   -0.1474        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.4422   -0.4422       -3.8000   -3.8000
 2    -10.7737  -10.7737        0.0000    0.0000       -3.8000   -3.8000
 3    -10.7737  -10.7737       -0.4422   -0.4422       -0.0000    0.0000
 4     -0.4422   -0.4422       10.7737   10.7737     -131.5669 -131.5669
 5      3.8000    3.8000      111.8633  111.8633      -10.7737  -10.7737
 6     19.7036   19.7036       -3.8000   -3.8000        0.4422    0.4422
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1464    0.0000       -0.6463   -0.5897        4.9061    5.0667
 2      0.5906    0.5897      -14.2742  -14.3649      175.3781  175.4226
 3     -5.1069   -5.0667     -149.0740 -149.1511       14.4644   14.3649
 4     14.4632   14.3649        0.0417    0.0000       -5.1201   -5.0667
 5    -26.2301  -26.2715        4.9408    5.0667       -0.6807   -0.5897
 6    -14.3909  -14.3649        0.6096    0.5897        0.0139    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0724    0.0000      -94.2317  -93.8687       -3.4610   -3.5606
 2     93.4214   93.8687      -11.6686  -11.7713       10.4950   10.8416
 3      3.5395    3.5606       25.4781   25.0748       12.4671   11.7713
 4     11.7919   11.7713       -0.1096    0.0000        3.3163    3.5606
 5    -35.9283  -35.9165       -3.6436   -3.5606      -94.0649  -93.8687
 6    -11.6884  -11.7713       93.6253   93.8687        0.1992    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -14.8176  -14.7379       -3.1213   -2.3331      -15.1792  -15.2843
 2     12.4020   12.5611      -69.0864  -68.5530      -15.3988  -15.2843
 3     12.4163   12.5611       -2.9922   -2.3331      -17.0861  -17.0186
 4     66.2255   66.2199      -27.2190  -27.2990       18.3506   18.3346
 5     -1.7309   -1.7343       29.2436   29.4252       27.6714   27.2990
 6    -47.7516  -47.7598        1.5245    1.7343      -66.5626  -66.2199
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.9615   -0.0011   -0.0005    0.0005    2.0155    2.4544
 Low frequencies ---   22.1407   36.9610   44.7806
 Diagonal vibrational polarizability:
       33.7798898      31.2611392       9.9312678
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     22.1335                36.9606                44.7792
 Red. masses --      3.7021                 6.2482                 3.6274
 Frc consts  --      0.0011                 0.0050                 0.0043
 IR Inten    --      0.4799                 0.6865                 0.3438
 RamAct Fr= 1--      0.5193                 1.0595                 2.4290
  Dep-P Fr= 1--      0.7465                 0.6769                 0.7403
  Dep-U Fr= 1--      0.8548                 0.8073                 0.8508
 Alpha2 Fr= 1--      0.0000                 0.0014                 0.0004
 Beta2  Fr= 1--      0.0740                 0.1426                 0.3444
 AlphaG Fr= 1--     -0.0005                 0.0064                -0.0071
 Gamma2 Fr= 1--      0.5080                -0.1844                -1.4195
 Delta2 Fr= 1--      0.2738                 0.2713                -1.2332
 Raman1 Fr= 1--       2.077                  4.238                  9.716
 ROA1   Fr= 1--      57.526                 -9.024               -175.739
 CID1   Fr= 1--      27.693                 -2.129                -18.088
 Raman2 Fr= 1--       0.888                  1.711                  4.133
 ROA2   Fr= 1--      10.001                 -6.596                -24.203
 CID2   Fr= 1--      11.264                 -3.856                 -5.856
 Raman3 Fr= 1--       1.776                  3.421                  8.266
 ROA3   Fr= 1--      57.526                 -9.024               -175.739
 CID3   Fr= 1--      32.395                 -2.638                -21.260
 RC180  Fr= 1--       0.710                  0.615                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.11   0.00    -0.01  -0.11  -0.05    -0.02  -0.13  -0.07
     2   6     0.00   0.04  -0.05    -0.01  -0.07  -0.03     0.00  -0.00  -0.03
     3   6    -0.02   0.11   0.04    -0.01  -0.12  -0.05    -0.01  -0.13  -0.06
     4   6     0.01   0.05   0.03    -0.01  -0.09  -0.03     0.01  -0.01  -0.01
     5   6     0.03  -0.02  -0.01    -0.01  -0.07  -0.03     0.03   0.12   0.02
     6   6     0.03  -0.03  -0.05    -0.01  -0.07  -0.03     0.03   0.12   0.01
     7   6    -0.00   0.03  -0.09    -0.01   0.01  -0.01     0.00   0.01  -0.06
     8   6     0.04  -0.07   0.03    -0.10   0.03   0.05     0.02  -0.05   0.02
     9   6     0.04   0.00   0.21    -0.22   0.03   0.14    -0.08   0.00   0.22
    10   6     0.04  -0.09  -0.05    -0.08   0.17   0.02     0.01   0.02  -0.12
    11   6     0.01   0.02   0.06    -0.00  -0.00  -0.01     0.01   0.01   0.02
    12   6    -0.04   0.01  -0.05     0.14   0.05  -0.01     0.00   0.01   0.00
    13   8     0.01   0.10  -0.10     0.42   0.14  -0.01    -0.16  -0.03  -0.01
    14   8    -0.15  -0.12  -0.10    -0.04  -0.02  -0.02     0.18   0.05   0.00
    15   1    -0.04   0.17   0.01    -0.02  -0.13  -0.05    -0.03  -0.22  -0.10
    16   1    -0.04   0.17   0.08    -0.02  -0.14  -0.05    -0.03  -0.22  -0.09
    17   1     0.06  -0.08  -0.02    -0.00  -0.05  -0.02     0.04   0.22   0.06
    18   1     0.05  -0.09  -0.09    -0.00  -0.04  -0.02     0.04   0.22   0.04
    19   1    -0.03   0.15  -0.09     0.01   0.07  -0.00    -0.02   0.09  -0.06
    20   1    -0.01  -0.03  -0.21     0.04   0.02  -0.04     0.01  -0.03  -0.14
    21   1     0.08  -0.20   0.03    -0.08  -0.06   0.05     0.10  -0.19   0.04
    22   1     0.05   0.01   0.26    -0.23  -0.06   0.18    -0.08  -0.05   0.34
    23   1     0.01   0.13   0.21    -0.25   0.12   0.14    -0.18   0.14   0.21
    24   1     0.08  -0.07   0.29    -0.27   0.04   0.18    -0.07  -0.04   0.27
    25   1    -0.00   0.04  -0.06    -0.09   0.27   0.02    -0.07   0.17  -0.15
    26   1     0.03  -0.15  -0.18     0.01   0.16  -0.05     0.09  -0.03  -0.28
    27   1     0.07  -0.16   0.03    -0.15   0.17   0.08     0.03  -0.04  -0.06
    28   1     0.05   0.10   0.10    -0.00   0.03   0.00     0.02   0.02   0.02
    29   6     0.03  -0.10   0.15    -0.08   0.04   0.02    -0.02   0.01   0.04
    30   1    -0.18  -0.11  -0.17     0.09   0.02  -0.03     0.15   0.04  -0.01
    31   1     0.02  -0.19   0.11    -0.07   0.01   0.01    -0.06   0.01   0.03
    32   1     0.03  -0.11   0.14    -0.07   0.13   0.03    -0.02   0.01   0.08
    33   1     0.06  -0.08   0.24    -0.16   0.02   0.03    -0.03   0.01   0.03
                      4                      5                      6
                      A                      A                      A
 Frequencies --     54.9946                67.7142               111.2610
 Red. masses --      4.4675                 3.0946                 4.5657
 Frc consts  --      0.0080                 0.0084                 0.0333
 IR Inten    --      0.2463                 0.0415                 0.0041
 RamAct Fr= 1--      3.5839                 0.1398                 2.7618
  Dep-P Fr= 1--      0.7497                 0.7474                 0.7232
  Dep-U Fr= 1--      0.8569                 0.8554                 0.8394
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0013
 Beta2  Fr= 1--      0.5119                 0.0199                 0.3864
 AlphaG Fr= 1--     -0.0000                -0.0001                 0.0011
 Gamma2 Fr= 1--      0.7555                 0.6077                -1.0578
 Delta2 Fr= 1--      0.3863                 0.2875                -0.3092
 Raman1 Fr= 1--      14.336                  0.559                 11.047
 ROA1   Fr= 1--      84.893                 67.534               -111.440
 CID1   Fr= 1--       5.922                120.755                -10.088
 Raman2 Fr= 1--       6.142                  0.239                  4.636
 ROA2   Fr= 1--      15.042                 12.284                -22.912
 CID2   Fr= 1--       2.449                 51.355                 -4.942
 Raman3 Fr= 1--      12.284                  0.478                  9.272
 ROA3   Fr= 1--      84.893                 67.534               -111.440
 CID3   Fr= 1--       6.911                141.165                -12.018
 RC180  Fr= 1--       0.714                  0.711                  0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.07  -0.08    -0.04  -0.02  -0.09    -0.08   0.10   0.07
     2   6    -0.01   0.09  -0.02    -0.00   0.00  -0.11    -0.07   0.13   0.07
     3   6    -0.04  -0.11  -0.08    -0.04  -0.03  -0.04    -0.09  -0.03   0.04
     4   6    -0.02   0.01  -0.04     0.01  -0.02  -0.02    -0.08  -0.13   0.01
     5   6    -0.00   0.20   0.02     0.04  -0.02  -0.05    -0.08  -0.10   0.01
     6   6     0.00   0.24   0.03     0.04  -0.01  -0.09    -0.07   0.02   0.04
     7   6    -0.01   0.05  -0.03    -0.00   0.05  -0.11    -0.07   0.13   0.03
     8   6     0.04  -0.02   0.02    -0.06   0.02   0.01     0.05   0.07  -0.00
     9   6     0.15   0.01   0.03     0.06   0.03  -0.05     0.16   0.11   0.02
    10   6     0.03  -0.13   0.09    -0.06  -0.02   0.25     0.03  -0.08  -0.10
    11   6    -0.02  -0.05  -0.05     0.02   0.01   0.06    -0.08  -0.10  -0.00
    12   6    -0.02  -0.05   0.03     0.02   0.01   0.02     0.07  -0.05  -0.03
    13   8     0.15  -0.05   0.07    -0.05   0.02  -0.00     0.11  -0.01  -0.05
    14   8    -0.20  -0.04   0.05     0.11   0.00   0.01     0.22  -0.04  -0.04
    15   1    -0.04  -0.18  -0.11    -0.07  -0.02  -0.10    -0.08   0.17   0.09
    16   1    -0.05  -0.25  -0.13    -0.07  -0.04  -0.02    -0.09  -0.04   0.04
    17   1     0.01   0.30   0.06     0.08  -0.02  -0.03    -0.08  -0.17  -0.01
    18   1     0.01   0.37   0.07     0.07  -0.01  -0.11    -0.06   0.03   0.04
    19   1    -0.02   0.09  -0.03     0.01   0.15  -0.10    -0.12   0.13   0.02
    20   1    -0.05   0.01  -0.09     0.02   0.03  -0.18    -0.08   0.10  -0.01
    21   1    -0.00  -0.03   0.01    -0.23   0.02  -0.04     0.11   0.10   0.01
    22   1     0.16   0.07  -0.03     0.04   0.04  -0.26     0.18   0.21   0.04
    23   1     0.23   0.03   0.05     0.26   0.05  -0.00     0.14   0.09   0.01
    24   1     0.16  -0.02   0.09    -0.04   0.02   0.06     0.25   0.06   0.01
    25   1     0.08  -0.15   0.10     0.12  -0.05   0.31    -0.04  -0.14  -0.12
    26   1    -0.05  -0.16   0.09    -0.15  -0.02   0.33    -0.04  -0.11  -0.10
    27   1     0.07  -0.17   0.11    -0.12  -0.02   0.32     0.15  -0.13  -0.15
    28   1    -0.01  -0.10  -0.06     0.07   0.06   0.09    -0.12  -0.07  -0.00
    29   6    -0.01  -0.01  -0.08    -0.06  -0.03   0.15    -0.14  -0.04  -0.01
    30   1    -0.17  -0.04   0.10     0.10   0.00  -0.02     0.35   0.00  -0.06
    31   1    -0.05   0.05  -0.07    -0.11  -0.08   0.12    -0.10  -0.07  -0.01
    32   1    -0.01  -0.05  -0.06    -0.04   0.00   0.21    -0.14   0.06  -0.02
    33   1     0.01  -0.01  -0.14    -0.07  -0.03   0.18    -0.24  -0.07   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    166.7511               197.8825               227.3930
 Red. masses --      3.8068                 2.9367                 1.1098
 Frc consts  --      0.0624                 0.0678                 0.0338
 IR Inten    --      0.1772                 0.0236                 0.0260
 RamAct Fr= 1--      1.3496                 0.4470                 0.2543
  Dep-P Fr= 1--      0.1870                 0.6595                 0.7435
  Dep-U Fr= 1--      0.3151                 0.7948                 0.8529
 Alpha2 Fr= 1--      0.0190                 0.0007                 0.0000
 Beta2  Fr= 1--      0.0709                 0.0592                 0.0362
 AlphaG Fr= 1--     -0.0026                -0.0037                 0.0003
 Gamma2 Fr= 1--     -0.0656                 0.5022                 0.0531
 Delta2 Fr= 1--     -0.0485                 0.3767                 0.0798
 Raman1 Fr= 1--       5.398                  1.788                  1.017
 ROA1   Fr= 1--      -7.855                 60.269                  7.654
 CID1   Fr= 1--      -1.455                 33.710                  7.524
 Raman2 Fr= 1--       0.850                  0.711                  0.434
 ROA2   Fr= 1--      -1.187                  9.040                  0.637
 CID2   Fr= 1--      -1.396                 12.722                  1.468
 Raman3 Fr= 1--       1.701                  1.421                  0.868
 ROA3   Fr= 1--      -7.855                 60.269                  7.654
 CID3   Fr= 1--      -4.619                 42.411                  8.821
 RC180  Fr= 1--      -0.370                  0.590                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.08   0.02    -0.05  -0.11   0.03    -0.00   0.02   0.00
     2   6    -0.06   0.02  -0.02     0.00  -0.05   0.01     0.01   0.01  -0.00
     3   6    -0.05   0.10   0.09    -0.03  -0.11   0.09    -0.00   0.00   0.01
     4   6     0.00   0.06   0.10     0.00  -0.06   0.12    -0.00  -0.01   0.01
     5   6     0.02   0.10   0.10     0.04  -0.09   0.08     0.01   0.00   0.01
     6   6     0.01   0.08   0.03     0.04  -0.08   0.02     0.01   0.02   0.00
     7   6    -0.08  -0.03  -0.10     0.00   0.07  -0.10     0.01  -0.01  -0.01
     8   6    -0.11  -0.06  -0.04     0.00   0.04  -0.04     0.01  -0.01  -0.01
     9   6    -0.11  -0.05  -0.03     0.08   0.09   0.02    -0.00  -0.03  -0.03
    10   6    -0.11  -0.05   0.03     0.00   0.00  -0.01     0.01   0.02   0.04
    11   6    -0.00  -0.05   0.01    -0.01   0.02   0.03    -0.00  -0.01   0.00
    12   6     0.04  -0.04  -0.00    -0.02   0.03   0.00     0.00  -0.01   0.00
    13   8     0.10  -0.01  -0.01    -0.07   0.07  -0.03    -0.01  -0.00  -0.00
    14   8     0.14  -0.04  -0.01    -0.06  -0.02  -0.02    -0.00  -0.03  -0.00
    15   1    -0.10   0.08   0.01    -0.09  -0.13   0.00    -0.01   0.02   0.00
    16   1    -0.09   0.12   0.13    -0.06  -0.13   0.10    -0.01   0.00   0.02
    17   1     0.05   0.12   0.12     0.08  -0.09   0.10     0.02   0.00   0.01
    18   1     0.06   0.09  -0.00     0.07  -0.08   0.00     0.02   0.03  -0.00
    19   1    -0.11   0.03  -0.11    -0.09   0.18  -0.12     0.01  -0.02  -0.01
    20   1    -0.07  -0.05  -0.16     0.10   0.05  -0.22    -0.01  -0.01  -0.01
    21   1    -0.16  -0.09  -0.06    -0.02  -0.00  -0.05    -0.01  -0.01  -0.01
    22   1    -0.12  -0.08  -0.07     0.05   0.05  -0.18     0.03   0.08   0.20
    23   1    -0.07  -0.02  -0.01     0.30   0.22   0.08    -0.24  -0.15  -0.10
    24   1    -0.15  -0.05   0.02    -0.06   0.04   0.22     0.19  -0.02  -0.23
    25   1    -0.04  -0.02   0.06     0.02  -0.01  -0.01     0.11   0.45   0.07
    26   1    -0.14  -0.07   0.02    -0.02   0.00  -0.00    -0.02  -0.16  -0.33
    27   1    -0.13  -0.07   0.09     0.01  -0.00  -0.01    -0.04  -0.19   0.41
    28   1    -0.08  -0.09  -0.02    -0.13  -0.01  -0.01    -0.02  -0.02  -0.00
    29   6     0.21  -0.07  -0.12     0.08   0.14  -0.13    -0.03   0.03  -0.01
    30   1     0.24  -0.01  -0.03    -0.11  -0.03  -0.05    -0.01  -0.03  -0.02
    31   1     0.27   0.01  -0.07     0.32   0.14  -0.08     0.17  -0.10  -0.02
    32   1     0.18  -0.23  -0.24     0.04   0.28  -0.35    -0.04   0.26  -0.16
    33   1     0.35  -0.03  -0.15    -0.07   0.10  -0.10    -0.23  -0.02   0.13
                     10                     11                     12
                      A                      A                      A
 Frequencies --    233.4609               250.0540               254.4118
 Red. masses --      1.1277                 1.4921                 1.6414
 Frc consts  --      0.0362                 0.0550                 0.0626
 IR Inten    --      0.0024                 0.0864                 0.1041
 RamAct Fr= 1--      0.1728                 1.2027                 0.4859
  Dep-P Fr= 1--      0.7326                 0.4647                 0.5645
  Dep-U Fr= 1--      0.8457                 0.6345                 0.7216
 Alpha2 Fr= 1--      0.0001                 0.0069                 0.0017
 Beta2  Fr= 1--      0.0244                 0.1272                 0.0584
 AlphaG Fr= 1--      0.0001                -0.0239                -0.0056
 Gamma2 Fr= 1--      0.1027                -0.8731                 0.5216
 Delta2 Fr= 1--      0.0519                 0.0379                 0.1347
 Raman1 Fr= 1--       0.691                  4.811                  1.944
 ROA1   Fr= 1--      11.519                -82.603                 54.385
 CID1   Fr= 1--      16.664                -17.170                 27.983
 Raman2 Fr= 1--       0.292                  1.526                  0.701
 ROA2   Fr= 1--       2.050                -21.258                 11.441
 CID2   Fr= 1--       7.014                -13.927                 16.316
 Raman3 Fr= 1--       0.585                  3.053                  1.402
 ROA3   Fr= 1--      11.519                -82.603                 54.385
 CID3   Fr= 1--      19.706                -27.059                 38.779
 RC180  Fr= 1--       0.691                  0.269                  0.443
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04  -0.00    -0.01  -0.05  -0.03     0.00  -0.04   0.00
     2   6     0.01   0.01  -0.01    -0.02  -0.01  -0.01    -0.02  -0.03   0.02
     3   6     0.01   0.03  -0.00    -0.01  -0.04  -0.02     0.00  -0.01  -0.02
     4   6     0.01  -0.00  -0.01     0.01   0.01  -0.00    -0.01   0.02  -0.02
     5   6     0.01   0.03  -0.00    -0.00  -0.02  -0.01    -0.04  -0.00  -0.01
     6   6     0.01   0.04  -0.00    -0.01  -0.04  -0.02    -0.04  -0.03   0.01
     7   6     0.01  -0.02  -0.00    -0.02   0.04   0.02    -0.02  -0.00   0.02
     8   6    -0.00  -0.02   0.00    -0.03   0.04   0.02    -0.01   0.01  -0.01
     9   6    -0.03  -0.03   0.01     0.01   0.06   0.02     0.04   0.03  -0.01
    10   6    -0.00  -0.00  -0.00    -0.04  -0.06   0.00    -0.01   0.01  -0.03
    11   6     0.01  -0.01  -0.01     0.02   0.03  -0.00    -0.01   0.02  -0.03
    12   6     0.01  -0.02   0.00     0.00   0.03  -0.00    -0.01   0.03  -0.03
    13   8     0.00  -0.03   0.01     0.00   0.00   0.01     0.02  -0.02   0.02
    14   8     0.00  -0.02   0.00    -0.01   0.06   0.01    -0.01   0.11   0.02
    15   1     0.01   0.05   0.00    -0.01  -0.07  -0.04     0.02  -0.05   0.01
    16   1     0.01   0.04   0.00    -0.01  -0.05  -0.02     0.02  -0.00  -0.03
    17   1     0.01   0.03  -0.00    -0.01  -0.03  -0.01    -0.06   0.01  -0.02
    18   1     0.01   0.05   0.00     0.00  -0.04  -0.03    -0.06  -0.04   0.02
    19   1     0.01  -0.01  -0.00     0.00   0.06   0.02    -0.02  -0.04   0.02
    20   1    -0.01  -0.02  -0.00    -0.00   0.05   0.02    -0.00   0.02   0.06
    21   1     0.00  -0.03   0.00    -0.02   0.06   0.03     0.00   0.02  -0.01
    22   1    -0.06  -0.11  -0.10     0.07   0.26   0.40     0.00  -0.06  -0.31
    23   1     0.08   0.03   0.04    -0.39  -0.11  -0.09     0.37   0.15   0.08
    24   1    -0.15  -0.01   0.10     0.35   0.02  -0.27    -0.17   0.02   0.23
    25   1    -0.04  -0.25  -0.02    -0.08  -0.28  -0.02     0.01   0.33  -0.02
    26   1     0.04   0.11   0.22    -0.10  -0.00   0.16    -0.02  -0.12  -0.32
    27   1     0.00   0.13  -0.22     0.04  -0.00  -0.17    -0.00  -0.15   0.21
    28   1     0.01  -0.01  -0.00     0.01   0.05   0.01    -0.00   0.07  -0.01
    29   6    -0.03   0.01   0.01     0.10  -0.06   0.01     0.06  -0.12   0.03
    30   1    -0.01  -0.02  -0.00    -0.03   0.05   0.05     0.01   0.11   0.09
    31   1     0.33  -0.29  -0.04     0.25  -0.21  -0.01     0.20  -0.33  -0.02
    32   1    -0.06   0.42  -0.26     0.07   0.01  -0.14     0.04  -0.06  -0.11
    33   1    -0.40  -0.09   0.33     0.05  -0.06   0.20     0.03  -0.12   0.28
                     13                     14                     15
                      A                      A                      A
 Frequencies --    297.2565               318.5885               346.0931
 Red. masses --      2.7188                 3.6183                 3.2536
 Frc consts  --      0.1415                 0.2164                 0.2296
 IR Inten    --      0.2623                 0.7609                 0.4049
 RamAct Fr= 1--      1.7290                 0.6491                 2.2577
  Dep-P Fr= 1--      0.1496                 0.4644                 0.5961
  Dep-U Fr= 1--      0.2603                 0.6343                 0.7469
 Alpha2 Fr= 1--      0.0268                 0.0038                 0.0065
 Beta2  Fr= 1--      0.0750                 0.0686                 0.2810
 AlphaG Fr= 1--      0.0115                 0.0081                 0.0120
 Gamma2 Fr= 1--     -0.0631                 0.1458                 0.9251
 Delta2 Fr= 1--     -0.1828                -0.0711                -0.0061
 Raman1 Fr= 1--       6.916                  2.596                  9.031
 ROA1   Fr= 1--     -11.903                 11.718                 88.620
 CID1   Fr= 1--      -1.721                  4.513                  9.813
 Raman2 Fr= 1--       0.900                  0.823                  3.373
 ROA2   Fr= 1--      -0.051                  4.067                 22.252
 CID2   Fr= 1--      -0.057                  4.940                  6.598
 Raman3 Fr= 1--       1.800                  1.647                  6.745
 ROA3   Fr= 1--     -11.903                 11.718                 88.620
 CID3   Fr= 1--      -6.612                  7.116                 13.138
 RC180  Fr= 1--      -0.479                  0.269                  0.494
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.01   0.03     0.08   0.03   0.10    -0.04   0.09  -0.04
     2   6     0.01   0.01  -0.00     0.05  -0.00   0.08    -0.00   0.20  -0.02
     3   6    -0.06  -0.02   0.06     0.09  -0.01   0.06    -0.05  -0.13  -0.02
     4   6    -0.06  -0.03   0.05     0.07  -0.07   0.02     0.01  -0.13   0.01
     5   6    -0.02  -0.02   0.03     0.06  -0.02   0.07     0.05  -0.14  -0.03
     6   6    -0.00   0.01   0.00     0.08   0.03   0.11     0.05   0.08  -0.04
     7   6     0.04  -0.02  -0.10    -0.00   0.05  -0.12    -0.00   0.07   0.08
     8   6     0.10  -0.08  -0.03    -0.06   0.02  -0.06     0.05   0.00   0.08
     9   6     0.03  -0.09   0.00    -0.09   0.03  -0.02    -0.12  -0.12  -0.05
    10   6     0.15   0.14   0.07    -0.08  -0.12   0.01     0.04  -0.07  -0.00
    11   6    -0.09  -0.01  -0.03     0.06   0.00  -0.09     0.03   0.01   0.03
    12   6    -0.04   0.03  -0.05     0.04   0.01  -0.11     0.02   0.05   0.00
    13   8     0.02  -0.01  -0.01     0.01  -0.12  -0.04    -0.04   0.06  -0.01
    14   8    -0.02   0.13  -0.00    -0.07   0.16  -0.04    -0.03   0.06   0.01
    15   1    -0.10   0.02   0.02     0.11   0.07   0.13    -0.09   0.13  -0.05
    16   1    -0.06  -0.03   0.06     0.09   0.01   0.06    -0.11  -0.21  -0.01
    17   1     0.02  -0.03   0.05     0.05  -0.01   0.07     0.09  -0.23  -0.03
    18   1    -0.00   0.02   0.00     0.09   0.07   0.13     0.11   0.11  -0.08
    19   1    -0.06   0.10  -0.12    -0.16   0.22  -0.15     0.09   0.03   0.11
    20   1     0.03  -0.08  -0.25     0.13   0.03  -0.30    -0.15   0.02   0.12
    21   1     0.08  -0.13  -0.04    -0.10  -0.02  -0.07     0.09   0.04   0.10
    22   1     0.05  -0.08   0.16    -0.09  -0.00   0.04    -0.17  -0.37  -0.20
    23   1    -0.14  -0.14  -0.04    -0.15   0.06  -0.03    -0.02  -0.17  -0.03
    24   1     0.12  -0.08  -0.11    -0.09   0.03  -0.02    -0.39   0.07  -0.07
    25   1     0.23   0.01   0.09    -0.02  -0.14   0.03    -0.02  -0.03  -0.02
    26   1     0.32   0.30   0.29    -0.25  -0.17  -0.00    -0.02  -0.14  -0.09
    27   1    -0.07   0.36  -0.05     0.00  -0.21   0.06     0.14  -0.16   0.03
    28   1    -0.14   0.04  -0.02     0.01   0.10  -0.06    -0.02   0.04   0.03
    29   6    -0.02  -0.10  -0.02    -0.11  -0.01   0.04     0.09   0.00   0.00
    30   1     0.05   0.14   0.09    -0.18   0.10   0.12    -0.12   0.03   0.05
    31   1    -0.03  -0.14  -0.03    -0.32  -0.02  -0.00     0.11   0.04   0.02
    32   1    -0.03  -0.18  -0.03    -0.07   0.03   0.27     0.08  -0.07  -0.05
    33   1     0.06  -0.07   0.04    -0.14  -0.02  -0.01     0.16   0.02  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    387.4705               407.3287               419.2855
 Red. masses --      2.6957                 2.5949                 2.9481
 Frc consts  --      0.2385                 0.2537                 0.3054
 IR Inten    --      0.7465                 0.3626                 0.0296
 RamAct Fr= 1--      0.2821                 6.8997                 0.0324
  Dep-P Fr= 1--      0.3900                 0.0966                 0.3788
  Dep-U Fr= 1--      0.5611                 0.1762                 0.5494
 Alpha2 Fr= 1--      0.0022                 0.1218                 0.0003
 Beta2  Fr= 1--      0.0264                 0.2026                 0.0030
 AlphaG Fr= 1--      0.0029                -0.0247                -0.0087
 Gamma2 Fr= 1--      0.4089                -0.2288                -0.2459
 Delta2 Fr= 1--      0.2091                 0.2605                -0.0603
 Raman1 Fr= 1--       1.129                 27.599                  0.130
 ROA1   Fr= 1--      45.945                -13.633                -25.539
 CID1   Fr= 1--      40.713                 -0.494               -197.148
 Raman2 Fr= 1--       0.317                  2.432                  0.036
 ROA2   Fr= 1--       8.141                 -7.576                 -5.420
 CID2   Fr= 1--      25.713                 -3.116               -152.312
 Raman3 Fr= 1--       0.633                  4.863                  0.071
 ROA3   Fr= 1--      45.945                -13.633                -25.539
 CID3   Fr= 1--      72.556                 -2.803               -358.812
 RC180  Fr= 1--       0.122                 -0.648                  0.099
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.05   0.07     0.00   0.06   0.02    -0.02  -0.19  -0.08
     2   6     0.00   0.01   0.13    -0.06   0.05   0.05    -0.00   0.00  -0.02
     3   6     0.05   0.01  -0.09     0.01  -0.04  -0.06     0.01   0.19   0.08
     4   6    -0.02   0.03  -0.11     0.05  -0.06  -0.05     0.00  -0.01   0.01
     5   6    -0.10  -0.04  -0.09    -0.02  -0.04  -0.00    -0.00  -0.20  -0.06
     6   6    -0.07   0.00   0.10    -0.02   0.03   0.06     0.03   0.20   0.06
     7   6    -0.01   0.09  -0.11    -0.10  -0.02  -0.03    -0.00  -0.02   0.01
     8   6     0.05  -0.00  -0.04    -0.10  -0.10   0.06    -0.01  -0.00   0.01
     9   6    -0.07  -0.03  -0.03     0.12  -0.08   0.00     0.02   0.00   0.01
    10   6     0.06  -0.03   0.03    -0.10   0.12  -0.04    -0.01   0.01  -0.01
    11   6     0.00   0.02   0.01     0.10   0.03   0.00     0.00  -0.00   0.00
    12   6    -0.02   0.01   0.08     0.07   0.01  -0.01     0.00  -0.00  -0.01
    13   8    -0.02   0.08   0.04    -0.01  -0.04  -0.00     0.00  -0.00  -0.01
    14   8     0.03  -0.09   0.04    -0.01  -0.00  -0.01    -0.00   0.01  -0.00
    15   1     0.16  -0.10   0.10     0.06   0.07   0.05    -0.05  -0.40  -0.16
    16   1     0.14   0.02  -0.15    -0.01  -0.07  -0.06     0.02   0.43   0.17
    17   1    -0.21  -0.07  -0.15    -0.08  -0.04  -0.03    -0.01  -0.42  -0.13
    18   1    -0.17   0.01   0.17    -0.01   0.04   0.05     0.06   0.44   0.13
    19   1    -0.26   0.38  -0.16    -0.16   0.13  -0.04     0.03  -0.05   0.02
    20   1     0.13   0.01  -0.44    -0.10  -0.09  -0.19    -0.01  -0.00   0.05
    21   1     0.03  -0.04  -0.04    -0.11  -0.12   0.06    -0.01   0.00   0.01
    22   1    -0.08  -0.16   0.01     0.16   0.19  -0.09     0.02   0.04   0.00
    23   1    -0.13  -0.02  -0.04     0.23  -0.23   0.02     0.02  -0.00   0.01
    24   1    -0.15   0.04  -0.07     0.29  -0.16  -0.04     0.04  -0.01   0.01
    25   1     0.14  -0.05   0.06    -0.24   0.19  -0.08    -0.03   0.01  -0.01
    26   1    -0.02  -0.05   0.06     0.18   0.20  -0.06     0.01   0.01  -0.01
    27   1     0.05  -0.06   0.08    -0.23   0.26  -0.13    -0.02   0.02  -0.02
    28   1     0.09  -0.04   0.00     0.12   0.06   0.02    -0.00   0.00   0.00
    29   6     0.05  -0.01   0.00     0.07   0.06   0.05    -0.01  -0.00   0.00
    30   1     0.05  -0.06  -0.07    -0.20  -0.05  -0.01    -0.01   0.00   0.01
    31   1     0.11  -0.04   0.00     0.04   0.07   0.04    -0.01   0.01   0.00
    32   1     0.04  -0.05  -0.07     0.07   0.07   0.08    -0.01  -0.00   0.01
    33   1     0.09   0.00   0.06     0.06   0.06   0.02    -0.00  -0.00  -0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    427.6289               453.8464               552.7255
 Red. masses --      2.2153                 4.3149                 2.3165
 Frc consts  --      0.2387                 0.5236                 0.4170
 IR Inten    --      0.1881                 3.3720                15.0860
 RamAct Fr= 1--      0.8276                 1.7153                 0.8631
  Dep-P Fr= 1--      0.7339                 0.2911                 0.5105
  Dep-U Fr= 1--      0.8465                 0.4510                 0.6759
 Alpha2 Fr= 1--      0.0002                 0.0181                 0.0041
 Beta2  Fr= 1--      0.1168                 0.1289                 0.0972
 AlphaG Fr= 1--      0.0017                 0.0153                 0.0064
 Gamma2 Fr= 1--     -0.3041                -0.1823                -0.4147
 Delta2 Fr= 1--     -0.1106                -0.4645                 0.0021
 Raman1 Fr= 1--       3.311                  6.861                  3.453
 ROA1   Fr= 1--     -32.729                -32.364                -39.746
 CID1   Fr= 1--      -9.886                 -4.717                -11.512
 Raman2 Fr= 1--       1.401                  1.547                  1.167
 ROA2   Fr= 1--      -6.413                 -0.659                 -9.971
 CID2   Fr= 1--      -4.577                 -0.426                 -8.545
 Raman3 Fr= 1--       2.802                  3.094                  2.334
 ROA3   Fr= 1--     -32.729                -32.364                -39.746
 CID3   Fr= 1--     -11.679                -10.460                -17.033
 RC180  Fr= 1--       0.693                 -0.098                  0.352
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.07  -0.02     0.11   0.06   0.05     0.04  -0.03  -0.01
     2   6     0.01  -0.04  -0.03     0.11  -0.04  -0.02     0.03   0.19   0.06
     3   6    -0.01   0.05   0.03     0.09  -0.03   0.02     0.04  -0.05   0.00
     4   6    -0.00   0.09   0.04    -0.02  -0.11  -0.04     0.04   0.19   0.07
     5   6     0.01   0.05   0.02     0.07   0.00  -0.03     0.04  -0.05  -0.00
     6   6     0.01  -0.06  -0.04     0.09   0.07  -0.00     0.04  -0.03  -0.00
     7   6     0.02   0.13   0.01     0.08  -0.04  -0.03    -0.02  -0.00  -0.01
     8   6     0.01   0.03   0.20    -0.10  -0.03   0.07    -0.03  -0.04  -0.04
     9   6     0.01  -0.09  -0.04     0.05  -0.01  -0.00     0.00  -0.02   0.01
    10   6    -0.01  -0.00  -0.04    -0.15   0.01  -0.04    -0.05   0.01  -0.00
    11   6    -0.02   0.00  -0.01    -0.12  -0.09  -0.03    -0.03   0.02  -0.03
    12   6    -0.02  -0.02  -0.02    -0.10   0.03   0.10    -0.09  -0.01  -0.00
    13   8     0.02  -0.05   0.00    -0.05   0.24  -0.00     0.02  -0.01   0.02
    14   8     0.01  -0.00  -0.02     0.00   0.01   0.09    -0.01  -0.02  -0.01
    15   1    -0.04  -0.10  -0.04     0.10   0.18   0.08     0.02  -0.34  -0.11
    16   1    -0.01   0.07   0.04     0.14   0.03   0.00     0.02  -0.37  -0.11
    17   1     0.03   0.06   0.03     0.13   0.06   0.01     0.03  -0.37  -0.10
    18   1     0.01  -0.09  -0.05     0.08   0.16   0.05     0.04  -0.34  -0.13
    19   1     0.02   0.50   0.02     0.12   0.07  -0.02    -0.04  -0.10  -0.01
    20   1     0.11   0.03  -0.30     0.14  -0.03  -0.08    -0.13  -0.02   0.06
    21   1     0.04   0.05   0.21    -0.15  -0.05   0.05    -0.05  -0.06  -0.05
    22   1    -0.01  -0.12  -0.20     0.07   0.18  -0.08     0.01   0.03   0.01
    23   1     0.10  -0.39  -0.04     0.14  -0.13   0.01     0.02   0.02   0.01
    24   1    -0.07   0.08  -0.23     0.17  -0.07  -0.03     0.05  -0.08   0.05
    25   1    -0.26   0.05  -0.11    -0.32   0.03  -0.10    -0.02   0.02   0.01
    26   1     0.07  -0.04  -0.17    -0.07   0.00  -0.12    -0.02   0.03   0.02
    27   1     0.13  -0.04  -0.12    -0.08   0.02  -0.12    -0.11   0.04   0.00
    28   1    -0.03   0.00  -0.01    -0.10  -0.18  -0.06    -0.02  -0.02  -0.04
    29   6    -0.04   0.00  -0.01    -0.08  -0.15  -0.10    -0.04  -0.01  -0.02
    30   1     0.08   0.02  -0.01     0.22   0.08   0.08     0.46   0.12  -0.05
    31   1    -0.06  -0.01  -0.01    -0.03  -0.17  -0.10    -0.09  -0.06  -0.04
    32   1    -0.03   0.03   0.02    -0.10  -0.22  -0.17    -0.03   0.03   0.03
    33   1    -0.07  -0.01  -0.01    -0.02  -0.13  -0.05    -0.08  -0.02   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    580.9569               605.7165               635.4028
 Red. masses --      2.5614                 2.0820                 2.3004
 Frc consts  --      0.5093                 0.4501                 0.5472
 IR Inten    --     32.4678                65.8833                43.3908
 RamAct Fr= 1--      2.1052                 0.3943                 2.6358
  Dep-P Fr= 1--      0.1949                 0.5891                 0.3710
  Dep-U Fr= 1--      0.3262                 0.7415                 0.5412
 Alpha2 Fr= 1--      0.0290                 0.0012                 0.0216
 Beta2  Fr= 1--      0.1145                 0.0487                 0.2377
 AlphaG Fr= 1--     -0.0287                -0.0070                 0.0329
 Gamma2 Fr= 1--      0.5403                 0.0687                -0.5979
 Delta2 Fr= 1--      0.2600                 0.2166                -0.3044
 Raman1 Fr= 1--       8.421                  1.577                 10.543
 ROA1   Fr= 1--      60.190                 13.529                -67.139
 CID1   Fr= 1--       7.148                  8.579                 -6.368
 Raman2 Fr= 1--       1.373                  0.585                  2.853
 ROA2   Fr= 1--      10.887                 -0.084                -11.914
 CID2   Fr= 1--       7.927                 -0.143                 -4.176
 Raman3 Fr= 1--       2.747                  1.169                  5.706
 ROA3   Fr= 1--      60.190                 13.529                -67.139
 CID3   Fr= 1--      21.912                 11.570                -11.767
 RC180  Fr= 1--      -0.348                  0.483                  0.082
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.07    -0.02  -0.01  -0.03     0.03   0.03  -0.08
     2   6     0.08  -0.04  -0.01    -0.06  -0.03   0.01    -0.07  -0.05  -0.05
     3   6    -0.01  -0.05   0.00    -0.02   0.04  -0.06     0.06  -0.01   0.03
     4   6    -0.09  -0.04  -0.03     0.06  -0.02  -0.03     0.06  -0.08   0.01
     5   6    -0.03  -0.02  -0.08     0.03   0.02   0.01    -0.02  -0.04   0.11
     6   6    -0.00   0.06  -0.02     0.02  -0.04   0.04    -0.03   0.00   0.00
     7   6     0.10  -0.03  -0.02    -0.07   0.02   0.02    -0.07   0.02   0.01
     8   6    -0.02   0.00   0.01     0.01   0.00  -0.00     0.01   0.00   0.00
     9   6     0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.04  -0.01  -0.01     0.04   0.00   0.00     0.04   0.00   0.00
    11   6    -0.09   0.05   0.11     0.07  -0.10   0.05     0.05   0.10  -0.12
    12   6    -0.09  -0.00  -0.05    -0.03  -0.10  -0.02    -0.00   0.09   0.04
    13   8     0.04  -0.11   0.03    -0.02   0.05  -0.11    -0.03  -0.01   0.10
    14   8    -0.04   0.00  -0.08    -0.07   0.06   0.06    -0.04  -0.07  -0.04
    15   1    -0.01   0.14   0.08     0.05   0.01   0.01     0.04   0.17  -0.03
    16   1     0.08   0.02  -0.03    -0.04   0.10  -0.02    -0.03   0.10   0.14
    17   1     0.02   0.03  -0.05    -0.02   0.09   0.00    -0.01   0.12   0.16
    18   1    -0.08   0.16   0.07     0.05   0.01   0.03     0.07   0.18  -0.01
    19   1     0.11  -0.00  -0.02    -0.09   0.02   0.02    -0.06   0.04   0.01
    20   1     0.14  -0.01  -0.03    -0.07   0.01  -0.00    -0.06   0.01  -0.02
    21   1    -0.06  -0.02  -0.00     0.05   0.02   0.01     0.04   0.03   0.01
    22   1     0.01   0.05  -0.01    -0.01  -0.03   0.01    -0.01  -0.03   0.00
    23   1     0.02  -0.01   0.00    -0.01   0.01  -0.00    -0.01   0.00  -0.00
    24   1     0.03  -0.01  -0.00    -0.02   0.02  -0.00    -0.02   0.02  -0.01
    25   1    -0.10  -0.02  -0.02     0.07   0.01   0.02     0.07   0.01   0.01
    26   1    -0.06  -0.02  -0.03     0.04   0.01   0.02     0.04   0.01   0.02
    27   1     0.01  -0.03  -0.03     0.00   0.01   0.02     0.01   0.01   0.02
    28   1    -0.07   0.15   0.15     0.12  -0.12   0.06     0.00   0.04  -0.15
    29   6     0.07   0.09   0.09     0.02   0.02   0.03    -0.01  -0.01  -0.03
    30   1     0.68   0.21  -0.12     0.74   0.24   0.38     0.67   0.16  -0.32
    31   1     0.23   0.21   0.16     0.06   0.14   0.07    -0.16  -0.22  -0.13
    32   1     0.04   0.01  -0.10     0.03   0.15   0.02     0.01  -0.05   0.12
    33   1     0.15   0.12   0.02    -0.12  -0.03  -0.12     0.04   0.01   0.15
                     25                     26                     27
                      A                      A                      A
 Frequencies --    662.8448               726.9254               753.0541
 Red. masses --      5.7867                 3.1266                 4.0165
 Frc consts  --      1.4980                 0.9734                 1.3420
 IR Inten    --      5.3118                20.3421                 7.6635
 RamAct Fr= 1--      6.6455                 1.8138                 3.6236
  Dep-P Fr= 1--      0.5131                 0.1849                 0.0835
  Dep-U Fr= 1--      0.6782                 0.3120                 0.1541
 Alpha2 Fr= 1--      0.0308                 0.0256                 0.0660
 Beta2  Fr= 1--      0.7512                 0.0943                 0.0931
 AlphaG Fr= 1--     -0.0714                -0.0100                 0.0043
 Gamma2 Fr= 1--     -0.1396                -0.9205                -0.5909
 Delta2 Fr= 1--     -0.1408                -0.1674                 0.1093
 Raman1 Fr= 1--      26.582                  7.255                 14.494
 ROA1   Fr= 1--     -17.913                -93.722                -53.226
 CID1   Fr= 1--      -0.674                -12.918                 -3.672
 Raman2 Fr= 1--       9.014                  1.132                  1.117
 ROA2   Fr= 1--      -2.225                -20.752                -15.055
 CID2   Fr= 1--      -0.247                -18.333                -13.479
 Raman3 Fr= 1--      18.028                  2.264                  2.234
 ROA3   Fr= 1--     -17.913                -93.722                -53.226
 CID3   Fr= 1--      -0.994                -41.398                -23.827
 RC180  Fr= 1--       0.356                 -0.376                 -0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.23  -0.04   0.18    -0.10   0.04   0.10    -0.01  -0.15   0.03
     2   6    -0.02  -0.05   0.08     0.05  -0.04  -0.02     0.08   0.22   0.07
     3   6    -0.25   0.07  -0.14    -0.10  -0.04   0.04     0.01   0.11   0.10
     4   6     0.02   0.01  -0.09    -0.03   0.08   0.03    -0.07  -0.21  -0.07
     5   6     0.24   0.03  -0.17    -0.08  -0.02  -0.02    -0.01   0.15  -0.02
     6   6     0.28  -0.08   0.16    -0.07   0.08  -0.01    -0.03  -0.10  -0.09
     7   6    -0.03  -0.01   0.03     0.16  -0.07  -0.05     0.04   0.07   0.00
     8   6     0.00   0.01   0.01     0.00   0.02   0.04     0.00  -0.02  -0.05
     9   6     0.00  -0.00   0.00    -0.01   0.03  -0.00     0.01  -0.06   0.01
    10   6     0.01   0.00   0.00    -0.02   0.00   0.01    -0.07   0.00  -0.01
    11   6     0.01   0.06  -0.07     0.13   0.03  -0.12    -0.00  -0.00   0.00
    12   6    -0.00   0.09   0.03     0.17  -0.01   0.01     0.20   0.06   0.01
    13   8    -0.01  -0.02   0.10    -0.05   0.02  -0.07    -0.06  -0.01  -0.00
    14   8    -0.01  -0.03  -0.07    -0.05  -0.05   0.09    -0.06  -0.02   0.01
    15   1    -0.11  -0.01   0.24    -0.22  -0.06   0.01    -0.08  -0.36  -0.07
    16   1    -0.19   0.13  -0.16    -0.13  -0.28  -0.03     0.09   0.31   0.12
    17   1     0.14   0.11  -0.19    -0.11  -0.25  -0.10     0.05   0.32   0.06
    18   1     0.24  -0.02   0.21    -0.16  -0.05   0.01    -0.12  -0.36  -0.13
    19   1     0.01  -0.11   0.04     0.20  -0.03  -0.04     0.04  -0.07  -0.00
    20   1    -0.07   0.02   0.14     0.21  -0.05  -0.04    -0.07   0.07   0.13
    21   1     0.02   0.03   0.02    -0.07  -0.03   0.02    -0.03  -0.05  -0.06
    22   1     0.00  -0.02   0.00    -0.01   0.06  -0.03     0.02  -0.06   0.04
    23   1    -0.00  -0.01   0.00     0.01  -0.02  -0.00    -0.00   0.00   0.01
    24   1    -0.01   0.01  -0.01     0.01   0.05  -0.04     0.03  -0.10   0.06
    25   1     0.01   0.00   0.00    -0.14  -0.03  -0.03    -0.02   0.00   0.01
    26   1     0.02   0.00   0.00    -0.05  -0.04  -0.06    -0.08   0.02   0.02
    27   1     0.01   0.00   0.00     0.13  -0.05  -0.06    -0.12   0.02   0.02
    28   1    -0.01   0.03  -0.09     0.07  -0.04  -0.16    -0.04   0.04   0.01
    29   6    -0.03  -0.03  -0.05     0.02   0.01  -0.02    -0.00  -0.00  -0.00
    30   1     0.16   0.05  -0.33     0.35   0.05   0.22     0.28   0.07   0.00
    31   1    -0.11  -0.16  -0.12    -0.20  -0.20  -0.14     0.05  -0.02  -0.00
    32   1    -0.02  -0.07   0.02     0.07   0.08   0.24    -0.01  -0.10  -0.06
    33   1     0.02  -0.01   0.07    -0.02  -0.00   0.14     0.10   0.03   0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --    802.7577               823.2517               834.4854
 Red. masses --      2.3022                 3.8681                 2.8874
 Frc consts  --      0.8741                 1.5446                 1.1847
 IR Inten    --      7.5036                 7.1178                 1.5445
 RamAct Fr= 1--     37.5649                 1.8905                 4.1943
  Dep-P Fr= 1--      0.0583                 0.0952                 0.2508
  Dep-U Fr= 1--      0.1103                 0.1738                 0.4011
 Alpha2 Fr= 1--      0.7274                 0.0335                 0.0496
 Beta2  Fr= 1--      0.6903                 0.0548                 0.2804
 AlphaG Fr= 1--      0.2850                 0.0410                 0.0295
 Gamma2 Fr= 1--      0.1240                -0.7737                 2.0416
 Delta2 Fr= 1--      0.3849                 0.7011                 0.1774
 Raman1 Fr= 1--     150.260                  7.562                 16.777
 ROA1   Fr= 1--      24.220                -51.835                201.675
 CID1   Fr= 1--       0.161                 -6.855                 12.021
 Raman2 Fr= 1--       8.283                  0.657                  3.364
 ROA2   Fr= 1--      -0.103                -24.177                 47.580
 CID2   Fr= 1--      -0.012                -36.794                 14.142
 Raman3 Fr= 1--      16.567                  1.314                  6.729
 ROA3   Fr= 1--      24.220                -51.835                201.675
 CID3   Fr= 1--       1.462                -39.443                 29.972
 RC180  Fr= 1--      -0.779                 -0.652                 -0.198
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.04     0.07   0.03   0.02     0.02  -0.02   0.02
     2   6     0.03   0.01  -0.00    -0.02  -0.12  -0.03    -0.00   0.07   0.02
     3   6    -0.00  -0.06   0.03     0.06  -0.05   0.01     0.04  -0.01   0.05
     4   6    -0.02   0.06   0.02    -0.04   0.13   0.06    -0.04  -0.05  -0.02
     5   6    -0.00  -0.05  -0.05     0.06  -0.01  -0.09     0.05  -0.00  -0.05
     6   6     0.00  -0.03  -0.04     0.04   0.04  -0.04     0.05  -0.02  -0.04
     7   6     0.01   0.13   0.04    -0.15   0.06   0.07    -0.10  -0.12  -0.02
     8   6     0.01  -0.00  -0.09    -0.01  -0.01  -0.03    -0.04  -0.04   0.09
     9   6     0.04  -0.12   0.03     0.01  -0.02   0.00    -0.06   0.14  -0.04
    10   6    -0.08   0.01  -0.02     0.02  -0.01  -0.02     0.11  -0.02   0.02
    11   6     0.01   0.08  -0.08    -0.12   0.03   0.10    -0.08   0.13  -0.07
    12   6    -0.08  -0.08  -0.02     0.31   0.06  -0.02    -0.04  -0.08  -0.04
    13   8     0.03   0.00  -0.06    -0.07  -0.05  -0.04     0.02  -0.02  -0.08
    14   8     0.03  -0.03   0.08    -0.07  -0.03   0.04     0.03  -0.05   0.11
    15   1    -0.03   0.33   0.15     0.11   0.15   0.08     0.00  -0.11  -0.01
    16   1     0.04   0.22   0.12     0.14  -0.19  -0.10     0.09   0.07   0.04
    17   1     0.06   0.30   0.09     0.14  -0.15  -0.10     0.14   0.24   0.06
    18   1     0.01   0.39   0.12     0.06   0.22   0.02     0.07   0.03  -0.03
    19   1     0.06  -0.05   0.05    -0.20   0.12   0.06    -0.16   0.01  -0.03
    20   1    -0.02   0.19   0.19    -0.09   0.04  -0.02    -0.20  -0.22  -0.16
    21   1     0.07   0.02  -0.07     0.12   0.08   0.01    -0.07  -0.04   0.08
    22   1     0.04  -0.18   0.11     0.01  -0.04   0.03    -0.05   0.26  -0.14
    23   1    -0.01   0.00   0.02    -0.01   0.04   0.00     0.02   0.02  -0.02
    24   1     0.02  -0.15   0.10    -0.00  -0.04   0.04    -0.01   0.15  -0.10
    25   1     0.10   0.01   0.04     0.19   0.03   0.04    -0.06   0.02  -0.03
    26   1    -0.13   0.04   0.07     0.05   0.04   0.07     0.25  -0.02  -0.07
    27   1    -0.23   0.04   0.07    -0.15   0.05   0.07     0.18  -0.00  -0.07
    28   1    -0.01   0.01  -0.11    -0.18   0.18   0.14    -0.14   0.10  -0.10
    29   6     0.03   0.05   0.01    -0.09  -0.05  -0.05     0.01   0.08   0.02
    30   1    -0.05  -0.07   0.19     0.18   0.02   0.16    -0.02  -0.09   0.25
    31   1    -0.11  -0.13  -0.08     0.12   0.01   0.01    -0.03  -0.16  -0.07
    32   1     0.05   0.03   0.16    -0.14  -0.26  -0.31     0.01  -0.13   0.04
    33   1     0.05   0.06   0.18     0.13   0.02  -0.02     0.23   0.16   0.31
                     31                     32                     33
                      A                      A                      A
 Frequencies --    851.3763               857.2046               872.8283
 Red. masses --      1.2785                 3.4398                 1.9483
 Frc consts  --      0.5460                 1.4892                 0.8745
 IR Inten    --      0.4032                 2.9320                20.7953
 RamAct Fr= 1--      1.3866                15.1984                 6.1444
  Dep-P Fr= 1--      0.7474                 0.1237                 0.0296
  Dep-U Fr= 1--      0.8555                 0.2201                 0.0575
 Alpha2 Fr= 1--      0.0001                 0.2510                 0.1274
 Beta2  Fr= 1--      0.1977                 0.5576                 0.0589
 AlphaG Fr= 1--      0.0033                -0.1690                 0.1048
 Gamma2 Fr= 1--      0.1747                 0.9363                -0.9201
 Delta2 Fr= 1--      0.1044                -0.4599                -0.2079
 Raman1 Fr= 1--       5.546                 60.794                 24.578
 ROA1   Fr= 1--      20.113                 75.167                -94.984
 CID1   Fr= 1--       3.626                  1.236                 -3.865
 Raman2 Fr= 1--       2.372                  6.692                  0.707
 ROA2   Fr= 1--       3.358                 26.150                -20.419
 CID2   Fr= 1--       1.416                  3.908                -28.886
 Raman3 Fr= 1--       4.745                 13.383                  1.414
 ROA3   Fr= 1--      20.113                 75.167                -94.984
 CID3   Fr= 1--       4.239                  5.616                -67.184
 RC180  Fr= 1--       0.711                 -0.560                 -0.885
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.03     0.01   0.07  -0.15    -0.01  -0.07  -0.03
     2   6     0.00   0.01   0.00    -0.03   0.03   0.01     0.02   0.12   0.04
     3   6     0.00   0.06   0.03    -0.05   0.08  -0.16    -0.02  -0.07  -0.04
     4   6     0.00   0.01   0.00     0.04  -0.01  -0.01     0.02   0.11   0.04
     5   6    -0.01  -0.07  -0.03    -0.03  -0.07   0.16    -0.03  -0.06  -0.00
     6   6    -0.01  -0.07  -0.04     0.04  -0.08   0.16    -0.02  -0.06  -0.01
     7   6     0.00  -0.01   0.01     0.14   0.00  -0.06     0.05  -0.05  -0.05
     8   6    -0.00  -0.00  -0.00     0.03   0.03  -0.01    -0.01  -0.03   0.03
     9   6    -0.00   0.00  -0.00     0.02  -0.04   0.02    -0.03   0.06  -0.02
    10   6    -0.00  -0.00  -0.00    -0.06   0.02   0.01     0.03  -0.01   0.02
    11   6     0.02  -0.02   0.01    -0.14   0.10   0.03     0.03  -0.03   0.05
    12   6    -0.00   0.01   0.00     0.06  -0.03  -0.03     0.07   0.02   0.01
    13   8    -0.00   0.00   0.01    -0.00  -0.03  -0.06    -0.02  -0.00   0.02
    14   8    -0.00   0.01  -0.02    -0.00  -0.04   0.07    -0.02   0.01  -0.03
    15   1    -0.05  -0.45  -0.15     0.13  -0.14  -0.17     0.04   0.44   0.15
    16   1    -0.04  -0.45  -0.15    -0.17  -0.03  -0.13     0.02   0.43   0.14
    17   1     0.04   0.48   0.15    -0.17   0.13   0.17    -0.02   0.35   0.12
    18   1     0.02   0.47   0.16     0.15  -0.00   0.12    -0.01   0.33   0.14
    19   1    -0.01   0.04   0.01     0.22  -0.12  -0.04     0.05  -0.13  -0.05
    20   1     0.01  -0.02  -0.03     0.15   0.07   0.09    -0.08  -0.08   0.00
    21   1     0.02   0.02   0.00    -0.06  -0.04  -0.04    -0.13  -0.10  -0.00
    22   1    -0.00   0.01  -0.00     0.02  -0.11   0.04    -0.02   0.13  -0.07
    23   1    -0.00   0.02  -0.00    -0.01  -0.05   0.01     0.02  -0.01  -0.01
    24   1     0.01  -0.01   0.01    -0.01  -0.01  -0.00     0.00   0.06  -0.05
    25   1     0.01   0.00   0.00    -0.13  -0.04  -0.02    -0.16   0.00  -0.04
    26   1    -0.01   0.00   0.00    -0.16  -0.02  -0.03     0.10  -0.03  -0.07
    27   1    -0.01   0.00   0.01     0.08  -0.04  -0.03     0.14  -0.01  -0.08
    28   1     0.03  -0.04   0.01    -0.19   0.18   0.05     0.06  -0.00   0.07
    29   6     0.00  -0.01  -0.00    -0.06   0.03  -0.00    -0.03  -0.06  -0.03
    30   1    -0.01   0.01  -0.04     0.01  -0.05   0.19     0.03   0.03  -0.04
    31   1    -0.01   0.03   0.01     0.11  -0.05   0.00     0.01   0.07   0.02
    32   1     0.01   0.04   0.01    -0.11  -0.27  -0.25    -0.03   0.03  -0.06
    33   1    -0.05  -0.03  -0.05     0.25   0.13   0.16    -0.12  -0.09  -0.17
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.0638               936.4969               955.6550
 Red. masses --      1.5004                 1.1980                 1.7201
 Frc consts  --      0.7114                 0.6190                 0.9256
 IR Inten    --      1.3825                 1.9276                 0.3947
 RamAct Fr= 1--      3.1264                 1.3439                 5.6518
  Dep-P Fr= 1--      0.7427                 0.4507                 0.7261
  Dep-U Fr= 1--      0.8524                 0.6214                 0.8413
 Alpha2 Fr= 1--      0.0004                 0.0082                 0.0023
 Beta2  Fr= 1--      0.4441                 0.1392                 0.7925
 AlphaG Fr= 1--      0.0029                -0.0293                -0.0254
 Gamma2 Fr= 1--      1.0292                 0.2047                 0.7532
 Delta2 Fr= 1--      0.2808                 0.6891                -0.4579
 Raman1 Fr= 1--      12.506                  5.376                 22.607
 ROA1   Fr= 1--     107.791                 41.700                 57.653
 CID1   Fr= 1--       8.619                  7.757                  2.550
 Raman2 Fr= 1--       5.330                  1.670                  9.510
 ROA2   Fr= 1--      22.455                 -0.600                 21.739
 CID2   Fr= 1--       4.213                 -0.359                  2.286
 Raman3 Fr= 1--      10.659                  3.340                 19.020
 ROA3   Fr= 1--     107.791                 41.700                 57.653
 CID3   Fr= 1--      10.112                 12.484                  3.031
 RC180  Fr= 1--       0.705                  0.243                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00  -0.04    -0.00   0.00  -0.01    -0.00   0.00   0.01
     2   6     0.01   0.03   0.02     0.01   0.01   0.00    -0.02   0.00   0.01
     3   6    -0.04  -0.00  -0.03    -0.01  -0.00  -0.01     0.01  -0.03   0.01
     4   6     0.01   0.00   0.01     0.00   0.00   0.00     0.00   0.02   0.01
     5   6     0.01  -0.00   0.01    -0.00  -0.00   0.01     0.01  -0.07  -0.05
     6   6     0.00  -0.00  -0.02    -0.00  -0.00   0.00     0.00   0.08   0.00
     7   6     0.06  -0.07   0.14     0.02   0.00   0.01    -0.05  -0.11  -0.02
     8   6     0.00  -0.04  -0.02    -0.05   0.00  -0.01     0.08   0.09   0.01
     9   6    -0.02   0.01  -0.06    -0.07  -0.00   0.05     0.06  -0.03   0.04
    10   6    -0.03  -0.01  -0.02     0.04   0.03  -0.07    -0.07   0.08  -0.01
    11   6     0.00   0.01   0.00     0.00   0.00   0.00     0.01   0.01   0.01
    12   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1    -0.02   0.06  -0.03    -0.00  -0.00  -0.01    -0.01  -0.04  -0.01
    16   1    -0.09   0.12   0.05    -0.02   0.04   0.01     0.02   0.12   0.06
    17   1     0.03   0.01   0.03    -0.01   0.02   0.01     0.08   0.47   0.14
    18   1     0.02  -0.00  -0.03    -0.00  -0.01   0.00    -0.03  -0.41  -0.18
    19   1    -0.10   0.49   0.11     0.03   0.02   0.01    -0.19  -0.01  -0.05
    20   1     0.20  -0.25  -0.41     0.05   0.02   0.01    -0.03  -0.15  -0.15
    21   1     0.14   0.27   0.03     0.25  -0.23   0.07     0.15   0.09   0.03
    22   1     0.01   0.13   0.10    -0.04   0.39  -0.29     0.03  -0.24   0.06
    23   1    -0.03   0.35  -0.04     0.25  -0.35   0.10    -0.03  -0.10   0.01
    24   1     0.08  -0.23   0.21     0.17  -0.06  -0.10    -0.08   0.13  -0.07
    25   1     0.11   0.01   0.03     0.44  -0.14   0.06    -0.01  -0.11   0.01
    26   1    -0.05   0.02   0.04    -0.31   0.01   0.16    -0.44  -0.02   0.04
    27   1    -0.15   0.01   0.07    -0.01  -0.09   0.16     0.16  -0.11   0.04
    28   1    -0.02   0.00  -0.01    -0.00  -0.00   0.00     0.02   0.02   0.02
    29   6    -0.00   0.00  -0.01    -0.00  -0.00  -0.00    -0.01  -0.02  -0.01
    30   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.01
    31   1    -0.02  -0.02  -0.02    -0.00  -0.00  -0.00    -0.00   0.01  -0.00
    32   1     0.00  -0.00   0.01    -0.00   0.00   0.00    -0.01   0.00  -0.01
    33   1    -0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.03  -0.02  -0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --    960.9428               971.9055               974.3107
 Red. masses --      1.5107                 1.4388                 1.4561
 Frc consts  --      0.8219                 0.8008                 0.8144
 IR Inten    --      0.0411                 0.0452                 0.0419
 RamAct Fr= 1--      1.3377                 1.7259                 1.2231
  Dep-P Fr= 1--      0.6643                 0.5734                 0.7500
  Dep-U Fr= 1--      0.7983                 0.7288                 0.8571
 Alpha2 Fr= 1--      0.0020                 0.0057                 0.0000
 Beta2  Fr= 1--      0.1780                 0.2097                 0.1747
 AlphaG Fr= 1--      0.0113                -0.0234                 0.0002
 Gamma2 Fr= 1--      1.0838                 0.8685                -0.2202
 Delta2 Fr= 1--      0.3313                -0.1782                 0.7257
 Raman1 Fr= 1--       5.351                  6.904                  4.893
 ROA1   Fr= 1--     114.647                 77.678                  2.086
 CID1   Fr= 1--      21.426                 11.251                  0.426
 Raman2 Fr= 1--       2.136                  2.516                  2.097
 ROA2   Fr= 1--      23.361                 22.271                -11.090
 CID2   Fr= 1--      10.938                  8.852                 -5.289
 Raman3 Fr= 1--       4.271                  5.032                  4.193
 ROA3   Fr= 1--     114.647                 77.678                  2.086
 CID3   Fr= 1--      26.840                 15.437                  0.497
 RC180  Fr= 1--       0.597                  0.458                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.03   0.01    -0.00  -0.05  -0.01    -0.01  -0.10  -0.05
     2   6    -0.01   0.03   0.01    -0.01   0.01   0.00     0.00   0.03   0.01
     3   6     0.00  -0.05  -0.01     0.01   0.04   0.02     0.01   0.10   0.03
     4   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.01  -0.02  -0.00
     5   6     0.02   0.09   0.02     0.01   0.01  -0.01     0.00   0.01   0.01
     6   6    -0.01  -0.10  -0.05     0.00  -0.00  -0.00     0.00  -0.02  -0.00
     7   6    -0.03  -0.08  -0.02    -0.02   0.00  -0.01     0.00  -0.05  -0.00
     8   6     0.05   0.05   0.01    -0.06   0.06  -0.02     0.06  -0.01   0.01
     9   6     0.03  -0.02   0.02    -0.03  -0.11  -0.01     0.02   0.05   0.01
    10   6    -0.04   0.06   0.00     0.08   0.07   0.03    -0.06   0.00  -0.01
    11   6    -0.00  -0.00  -0.01    -0.01  -0.01  -0.00    -0.02  -0.02  -0.01
    12   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    13   8     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    15   1    -0.01  -0.19  -0.06     0.03   0.25   0.09     0.05   0.59   0.19
    16   1     0.03   0.22   0.09    -0.00  -0.26  -0.09    -0.05  -0.56  -0.21
    17   1    -0.01  -0.51  -0.18     0.01  -0.02  -0.01    -0.00  -0.10  -0.03
    18   1     0.05   0.56   0.18     0.01   0.02   0.00     0.02   0.11   0.04
    19   1    -0.13  -0.03  -0.04    -0.05  -0.01  -0.01    -0.05  -0.01  -0.01
    20   1    -0.05  -0.12  -0.10    -0.04  -0.01  -0.01    -0.03  -0.09  -0.08
    21   1     0.09   0.05   0.02    -0.22   0.17  -0.06     0.16  -0.07   0.04
    22   1     0.02  -0.12   0.03     0.02   0.17   0.07    -0.01  -0.10  -0.03
    23   1    -0.01  -0.07   0.01     0.07   0.14   0.03    -0.02  -0.09  -0.01
    24   1    -0.04   0.07  -0.04     0.19  -0.39   0.24    -0.09   0.21  -0.13
    25   1    -0.03  -0.08   0.00    -0.14  -0.13  -0.04     0.05   0.01   0.02
    26   1    -0.30  -0.02   0.01    -0.21  -0.09  -0.11    -0.08   0.03   0.05
    27   1     0.16  -0.08   0.02     0.53  -0.15  -0.08    -0.15   0.02   0.05
    28   1    -0.01   0.00  -0.01    -0.01  -0.02  -0.01    -0.05  -0.05  -0.03
    29   6     0.00   0.01   0.00     0.01   0.01   0.01     0.02   0.02   0.01
    30   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00  -0.01
    31   1     0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.02  -0.02  -0.01
    32   1     0.00  -0.01   0.01     0.01   0.00   0.01     0.02   0.01   0.04
    33   1     0.02   0.01   0.02     0.01   0.01   0.02     0.02   0.02   0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1001.8744              1044.7970              1059.9139
 Red. masses --      1.9411                 2.8670                 1.7423
 Frc consts  --      1.1479                 1.8439                 1.1532
 IR Inten    --     26.5497                17.1245                64.8160
 RamAct Fr= 1--      9.7325                 0.5392                 5.2552
  Dep-P Fr= 1--      0.3858                 0.1404                 0.2150
  Dep-U Fr= 1--      0.5568                 0.2462                 0.3538
 Alpha2 Fr= 1--      0.0758                 0.0085                 0.0686
 Beta2  Fr= 1--      0.9032                 0.0221                 0.3099
 AlphaG Fr= 1--      0.1392                 0.0066                 0.0627
 Gamma2 Fr= 1--     -0.0659                 0.0290                -1.0988
 Delta2 Fr= 1--     -0.8684                -0.2500                -1.4719
 Raman1 Fr= 1--      38.930                  2.157                 21.021
 ROA1   Fr= 1--     -34.116                 -5.214               -152.584
 CID1   Fr= 1--      -0.876                 -2.417                 -7.259
 Raman2 Fr= 1--      10.838                  0.266                  3.719
 ROA2   Fr= 1--       5.366                  2.697                -14.595
 CID2   Fr= 1--       0.495                 10.158                 -3.924
 Raman3 Fr= 1--      21.676                  0.531                  7.438
 ROA3   Fr= 1--     -34.116                 -5.214               -152.584
 CID3   Fr= 1--      -1.574                 -9.818                -20.514
 RC180  Fr= 1--       0.114                 -0.508                 -0.292
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03   0.04    -0.02  -0.07   0.20     0.03  -0.00   0.01
     2   6    -0.00   0.01  -0.01     0.03  -0.01  -0.00     0.01  -0.00   0.01
     3   6     0.00   0.02   0.04    -0.04   0.06  -0.17    -0.02   0.03  -0.08
     4   6     0.05  -0.03  -0.03     0.06  -0.00  -0.01    -0.06  -0.01   0.02
     5   6    -0.00   0.02   0.02    -0.01  -0.06   0.17    -0.00  -0.02   0.05
     6   6    -0.03   0.01  -0.03    -0.06   0.07  -0.19     0.02   0.01  -0.03
     7   6     0.01  -0.00   0.00    -0.01   0.00   0.00    -0.01   0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    11   6     0.10   0.14   0.01     0.02  -0.00   0.03    -0.07  -0.00  -0.04
    12   6    -0.07   0.02  -0.06    -0.00  -0.04   0.03     0.01   0.08  -0.07
    13   8     0.02  -0.01  -0.02     0.00   0.01   0.01    -0.00  -0.01  -0.01
    14   8     0.02  -0.04   0.08    -0.00   0.02  -0.04     0.00  -0.04   0.10
    15   1    -0.09   0.06   0.05     0.25  -0.12   0.31     0.17  -0.05   0.06
    16   1    -0.02  -0.15  -0.01     0.19   0.08  -0.33     0.10   0.08  -0.15
    17   1    -0.03  -0.09  -0.03     0.27  -0.12   0.28     0.11  -0.04   0.09
    18   1    -0.01   0.04  -0.02     0.19   0.11  -0.37     0.11   0.01  -0.09
    19   1     0.03   0.02   0.01    -0.07  -0.02  -0.01    -0.05  -0.01  -0.01
    20   1    -0.01  -0.02  -0.01    -0.02  -0.00   0.00     0.01   0.01   0.00
    21   1     0.02   0.01   0.01    -0.01  -0.01  -0.00    -0.02  -0.01  -0.01
    22   1    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    23   1     0.00   0.01  -0.00     0.00  -0.01   0.00     0.00  -0.02   0.00
    24   1     0.00  -0.01   0.01    -0.00   0.01  -0.01    -0.00   0.01  -0.01
    25   1     0.01   0.00   0.00    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00
    26   1    -0.01   0.00   0.01    -0.00  -0.00  -0.00     0.01  -0.00  -0.01
    27   1    -0.02   0.00   0.01     0.02  -0.00  -0.01     0.02  -0.00  -0.01
    28   1     0.34   0.51   0.20     0.04  -0.11  -0.01    -0.31   0.23  -0.00
    29   6    -0.09  -0.11  -0.03    -0.04   0.03  -0.01     0.11  -0.06   0.03
    30   1     0.03  -0.02  -0.04    -0.01  -0.00   0.08     0.01   0.00  -0.20
    31   1     0.19   0.24   0.13     0.03  -0.12  -0.05    -0.14   0.20   0.07
    32   1    -0.15  -0.06  -0.38    -0.07  -0.18  -0.10     0.18   0.41   0.31
    33   1    -0.08  -0.12  -0.38     0.16   0.10   0.16    -0.37  -0.22  -0.30
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1089.3827              1111.9344              1138.9599
 Red. masses --      1.9097                 1.7666                 2.2052
 Frc consts  --      1.3353                 1.2869                 1.6855
 IR Inten    --      7.3777                 1.5399                 0.3761
 RamAct Fr= 1--      3.8362                 6.8269                28.9143
  Dep-P Fr= 1--      0.6522                 0.2171                 0.3724
  Dep-U Fr= 1--      0.7895                 0.3568                 0.5428
 Alpha2 Fr= 1--      0.0067                 0.0886                 0.2357
 Beta2  Fr= 1--      0.5048                 0.4060                 2.6155
 AlphaG Fr= 1--     -0.0326                -0.0858                 0.0858
 Gamma2 Fr= 1--      0.6488                -2.9061                -2.9448
 Delta2 Fr= 1--      3.2758                -1.8931                -1.8410
 Raman1 Fr= 1--      15.345                 27.308                115.657
 ROA1   Fr= 1--     167.112               -339.567               -341.612
 CID1   Fr= 1--      10.891                -12.435                 -2.954
 Raman2 Fr= 1--       6.057                  4.872                 31.387
 ROA2   Fr= 1--     -10.635                -54.602                -55.947
 CID2   Fr= 1--      -1.756                -11.208                 -1.783
 Raman3 Fr= 1--      12.115                  9.743                 62.773
 ROA3   Fr= 1--     167.112               -339.567               -341.612
 CID3   Fr= 1--      13.794                -34.852                 -5.442
 RC180  Fr= 1--       0.579                 -0.286                  0.086
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.06     0.01  -0.01   0.03     0.01   0.02  -0.00
     2   6     0.01  -0.01   0.07    -0.01  -0.00  -0.04    -0.03  -0.06   0.00
     3   6    -0.03   0.02  -0.02     0.02   0.01  -0.01    -0.01   0.00   0.00
     4   6     0.02  -0.05   0.05    -0.01  -0.03  -0.01     0.02  -0.00   0.01
     5   6     0.03   0.03  -0.05    -0.02   0.01   0.00     0.03   0.00  -0.02
     6   6    -0.04   0.02  -0.04     0.00  -0.01   0.03    -0.02   0.02  -0.01
     7   6     0.01  -0.00   0.06    -0.02   0.02  -0.08     0.02   0.10   0.05
     8   6    -0.03   0.01  -0.07     0.05  -0.02   0.08     0.18  -0.15  -0.04
     9   6     0.01   0.00   0.05    -0.02   0.00  -0.06    -0.07   0.05  -0.05
    10   6     0.02  -0.01   0.03    -0.03   0.01  -0.02    -0.08   0.07   0.09
    11   6     0.05   0.07   0.15     0.03   0.07   0.15    -0.01  -0.01  -0.02
    12   6    -0.03  -0.01  -0.01    -0.02  -0.01  -0.01    -0.00   0.01  -0.00
    13   8     0.01  -0.01  -0.01     0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    14   8     0.01  -0.00  -0.00     0.00   0.00  -0.01     0.00  -0.00   0.01
    15   1     0.14   0.01  -0.01     0.06  -0.04   0.04     0.12  -0.08   0.02
    16   1    -0.22  -0.05   0.08     0.13  -0.00  -0.09    -0.12  -0.02   0.07
    17   1     0.18  -0.05  -0.01    -0.13  -0.02  -0.05     0.14  -0.02   0.02
    18   1    -0.21  -0.00   0.07    -0.03  -0.02   0.05    -0.11  -0.05   0.03
    19   1    -0.36  -0.03  -0.04     0.39  -0.01   0.03    -0.12  -0.09   0.01
    20   1     0.36   0.12  -0.00    -0.42  -0.10   0.03    -0.19  -0.01   0.01
    21   1    -0.19  -0.17  -0.11     0.21   0.14   0.13     0.21  -0.48  -0.04
    22   1    -0.01  -0.07  -0.06     0.01   0.10   0.07    -0.04   0.29  -0.11
    23   1     0.01  -0.20   0.03    -0.01   0.23  -0.04     0.07   0.13  -0.02
    24   1    -0.03   0.12  -0.10     0.04  -0.14   0.12     0.11  -0.08  -0.01
    25   1    -0.10   0.02  -0.02     0.09  -0.02   0.02    -0.43  -0.09  -0.03
    26   1     0.10  -0.02  -0.06    -0.12   0.02   0.06    -0.23  -0.08  -0.12
    27   1     0.07   0.01  -0.06    -0.07  -0.02   0.06     0.23  -0.04  -0.08
    28   1    -0.16   0.07   0.10    -0.13   0.04   0.11    -0.01  -0.00  -0.02
    29   6    -0.00  -0.02  -0.12     0.02  -0.02  -0.11    -0.00   0.01   0.02
    30   1    -0.00  -0.01   0.08     0.00  -0.01   0.11    -0.00   0.01  -0.05
    31   1    -0.27  -0.24  -0.24    -0.28  -0.21  -0.23     0.04   0.03   0.03
    32   1     0.05   0.01   0.18     0.08   0.06   0.24    -0.02  -0.02  -0.04
    33   1    -0.10  -0.04   0.09    -0.14  -0.06   0.08     0.03   0.02  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1152.6767              1186.8430              1193.8634
 Red. masses --      1.3963                 2.0797                 1.7720
 Frc consts  --      1.0931                 1.7260                 1.4881
 IR Inten    --      0.9080               139.9553                 9.5501
 RamAct Fr= 1--      0.4203                 9.3383                 3.6155
  Dep-P Fr= 1--      0.7259                 0.3526                 0.5309
  Dep-U Fr= 1--      0.8412                 0.5214                 0.6936
 Alpha2 Fr= 1--      0.0002                 0.0813                 0.0153
 Beta2  Fr= 1--      0.0589                 0.8115                 0.4180
 AlphaG Fr= 1--      0.0015                -0.0427                 0.0034
 Gamma2 Fr= 1--      0.6713                 1.5672                -1.6997
 Delta2 Fr= 1--      0.4085                 0.3142                 0.8077
 Raman1 Fr= 1--       1.681                 37.353                 14.462
 ROA1   Fr= 1--      77.519                160.507               -137.326
 CID1   Fr= 1--      46.113                  4.297                 -9.496
 Raman2 Fr= 1--       0.707                  9.738                  5.016
 ROA2   Fr= 1--      12.844                 35.099                -47.254
 CID2   Fr= 1--      18.165                  3.604                 -9.421
 Raman3 Fr= 1--       1.414                 19.475                 10.031
 ROA3   Fr= 1--      77.519                160.507               -137.326
 CID3   Fr= 1--      54.818                  8.242                -13.690
 RC180  Fr= 1--       0.682                  0.043                  0.387
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00   0.01     0.04   0.01  -0.03    -0.00  -0.00  -0.01
     2   6    -0.01  -0.00  -0.01     0.02  -0.00  -0.01     0.01  -0.00   0.01
     3   6     0.07  -0.01   0.01    -0.04   0.01   0.00     0.00  -0.00  -0.00
     4   6    -0.03   0.00  -0.03    -0.09  -0.01  -0.02     0.01  -0.00   0.00
     5   6    -0.07   0.00   0.02     0.01  -0.01   0.03    -0.00   0.00  -0.00
     6   6     0.08  -0.01   0.01     0.02  -0.01   0.02     0.00   0.00  -0.01
     7   6     0.01   0.01   0.06    -0.01   0.00   0.00    -0.02  -0.04  -0.05
     8   6     0.02  -0.03  -0.05     0.01   0.00  -0.00     0.12   0.15  -0.02
     9   6    -0.01   0.01   0.02    -0.01  -0.00   0.00    -0.10  -0.06   0.04
    10   6    -0.01   0.01   0.03    -0.00  -0.00   0.01    -0.05  -0.10   0.05
    11   6     0.00   0.02   0.04    -0.03   0.12  -0.07     0.00  -0.00   0.00
    12   6     0.00  -0.01   0.01     0.04  -0.10   0.10    -0.00   0.00  -0.00
    13   8    -0.00   0.00   0.01    -0.01   0.04   0.05     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.02     0.00  -0.00  -0.14    -0.00   0.00   0.01
    15   1    -0.42   0.07  -0.13     0.11  -0.01  -0.00    -0.02   0.02  -0.01
    16   1     0.37   0.04  -0.19    -0.06  -0.03  -0.00    -0.02  -0.00   0.01
    17   1    -0.38   0.05  -0.10     0.25  -0.08   0.12    -0.02   0.01  -0.01
    18   1     0.45   0.04  -0.25    -0.03  -0.02   0.05     0.02   0.01  -0.02
    19   1    -0.18   0.03   0.01    -0.05  -0.01  -0.01    -0.19  -0.17  -0.10
    20   1     0.13   0.02  -0.04    -0.02  -0.00  -0.00     0.04   0.01  -0.01
    21   1    -0.03  -0.14  -0.07     0.02   0.01  -0.00     0.28   0.33   0.03
    22   1    -0.01   0.02  -0.06    -0.00   0.02  -0.01    -0.05   0.33  -0.11
    23   1     0.02  -0.09   0.02     0.01  -0.01   0.01     0.26  -0.15   0.11
    24   1     0.01   0.05  -0.06     0.01  -0.01  -0.00     0.23  -0.25   0.03
    25   1    -0.14  -0.01  -0.01    -0.02   0.01  -0.00    -0.23   0.22  -0.00
    26   1    -0.00  -0.03  -0.06     0.01  -0.00  -0.01     0.34   0.01  -0.03
    27   1     0.09  -0.00  -0.05    -0.00   0.01  -0.01    -0.26   0.15  -0.10
    28   1     0.02  -0.00   0.03     0.20   0.14  -0.01    -0.02  -0.00  -0.00
    29   6     0.01  -0.01  -0.03     0.03  -0.07   0.01    -0.00   0.00   0.00
    30   1     0.00  -0.01   0.11     0.02  -0.11   0.75    -0.00   0.00  -0.03
    31   1    -0.07  -0.03  -0.05    -0.02   0.19   0.09     0.00  -0.01  -0.00
    32   1     0.03   0.03   0.08     0.05   0.22   0.02    -0.00  -0.01  -0.00
    33   1    -0.05  -0.03   0.01    -0.14  -0.12  -0.19     0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1213.1197              1221.2546              1237.0447
 Red. masses --      1.2992                 2.1025                 2.3291
 Frc consts  --      1.1265                 1.8475                 2.0999
 IR Inten    --      4.1673                 9.8177                 1.9744
 RamAct Fr= 1--     66.1402                36.9839                38.8449
  Dep-P Fr= 1--      0.1045                 0.1575                 0.1354
  Dep-U Fr= 1--      0.1892                 0.2721                 0.2385
 Alpha2 Fr= 1--      1.1453                 0.5609                 0.6231
 Beta2  Fr= 1--      2.0861                 1.6773                 1.5438
 AlphaG Fr= 1--      0.3323                 0.1720                 0.1106
 Gamma2 Fr= 1--     -4.0058                -0.1275                 1.4560
 Delta2 Fr= 1--     -0.6388                 0.1697                -0.3284
 Raman1 Fr= 1--     264.561                147.935                155.380
 ROA1   Fr= 1--    -404.997                 -6.811                129.263
 CID1   Fr= 1--      -1.531                 -0.046                  0.832
 Raman2 Fr= 1--      25.033                 20.128                 18.525
 ROA2   Fr= 1--     -91.028                 -4.417                 37.570
 CID2   Fr= 1--      -3.636                 -0.219                  2.028
 Raman3 Fr= 1--      50.066                 40.256                 37.050
 ROA3   Fr= 1--    -404.997                 -6.811                129.263
 CID3   Fr= 1--      -8.089                 -0.169                  3.489
 RC180  Fr= 1--      -0.622                 -0.456                 -0.523
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.04    -0.10  -0.00   0.03     0.04   0.00  -0.01
     2   6     0.05  -0.00  -0.01    -0.03   0.00   0.02     0.28  -0.04  -0.01
     3   6     0.01   0.01  -0.03     0.09   0.00  -0.03    -0.07   0.02  -0.05
     4   6    -0.10   0.01   0.00     0.22  -0.02   0.01     0.04  -0.01   0.01
     5   6     0.02  -0.02   0.04     0.06   0.00  -0.02    -0.08  -0.01   0.05
     6   6    -0.01  -0.02   0.05    -0.08   0.02  -0.03     0.05   0.01  -0.03
     7   6    -0.02   0.00   0.01     0.02  -0.00  -0.01    -0.10   0.03   0.01
     8   6     0.00  -0.00  -0.00     0.00   0.00   0.02    -0.00  -0.00   0.07
     9   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.01  -0.00  -0.04
    10   6    -0.00   0.00   0.00    -0.00  -0.00  -0.01     0.01   0.01  -0.02
    11   6     0.05  -0.01   0.01    -0.11   0.02  -0.02     0.01  -0.00  -0.00
    12   6    -0.01   0.01  -0.01     0.01  -0.02   0.01    -0.00  -0.01   0.00
    13   8     0.00  -0.01  -0.01    -0.01   0.01   0.02    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.02     0.00  -0.01  -0.03     0.00   0.00  -0.00
    15   1    -0.38   0.10  -0.19    -0.50   0.08  -0.12    -0.28   0.07  -0.15
    16   1     0.39   0.08  -0.29     0.21   0.02  -0.11    -0.33  -0.02   0.12
    17   1     0.48  -0.11   0.23     0.04   0.00  -0.04    -0.42   0.06  -0.08
    18   1    -0.31  -0.07   0.26    -0.43  -0.03   0.21    -0.14  -0.03   0.12
    19   1    -0.07  -0.00  -0.00     0.01  -0.02  -0.01    -0.51  -0.20  -0.08
    20   1    -0.04  -0.01   0.00     0.06   0.03   0.03    -0.23  -0.01   0.03
    21   1    -0.00  -0.01  -0.00     0.01  -0.02   0.02    -0.05  -0.08   0.05
    22   1    -0.00   0.00  -0.00     0.00   0.01   0.02     0.01  -0.01   0.07
    23   1     0.00  -0.00   0.00    -0.00   0.04  -0.01    -0.03   0.11  -0.03
    24   1     0.00  -0.00   0.00    -0.00  -0.02   0.02    -0.02  -0.04   0.06
    25   1    -0.01  -0.00  -0.00     0.02   0.00   0.00     0.08  -0.03   0.00
    26   1    -0.00  -0.00  -0.00    -0.00   0.01   0.02    -0.06   0.02   0.05
    27   1     0.00   0.00  -0.00    -0.02  -0.00   0.01    -0.02  -0.02   0.05
    28   1     0.19  -0.05   0.02    -0.47   0.12  -0.05    -0.12   0.03  -0.02
    29   6    -0.02   0.01  -0.02     0.03  -0.02   0.03    -0.00  -0.00   0.01
    30   1     0.00   0.02  -0.13     0.00  -0.04   0.23    -0.00   0.00  -0.01
    31   1     0.02  -0.05  -0.03    -0.03   0.09   0.06     0.01   0.01   0.01
    32   1    -0.01  -0.05   0.01     0.02   0.08   0.01    -0.01  -0.01  -0.04
    33   1     0.05   0.03   0.05    -0.08  -0.05  -0.07     0.01   0.00  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1248.9938              1297.6698              1318.8742
 Red. masses --      1.5924                 2.0473                 1.3479
 Frc consts  --      1.4636                 2.0313                 1.3813
 IR Inten    --      1.2743                 0.8301                 1.2815
 RamAct Fr= 1--      8.5818                 4.8859                27.2056
  Dep-P Fr= 1--      0.5164                 0.1477                 0.2807
  Dep-U Fr= 1--      0.6811                 0.2574                 0.4384
 Alpha2 Fr= 1--      0.0392                 0.0760                 0.2954
 Beta2  Fr= 1--      0.9742                 0.2096                 1.9877
 AlphaG Fr= 1--     -0.0633                 0.0330                -0.0366
 Gamma2 Fr= 1--     -3.9936                 2.5385                -3.5982
 Delta2 Fr= 1--      0.2684                -0.2233                 0.4848
 Raman1 Fr= 1--      34.327                 19.544                108.822
 ROA1   Fr= 1--    -374.795                236.555               -329.917
 CID1   Fr= 1--     -10.918                 12.104                 -3.032
 Raman2 Fr= 1--      11.690                  2.516                 23.852
 ROA2   Fr= 1--     -97.993                 62.711                -90.235
 CID2   Fr= 1--      -8.382                 24.928                 -3.783
 Raman3 Fr= 1--      23.381                  5.031                 47.704
 ROA3   Fr= 1--    -374.795                236.555               -329.917
 CID3   Fr= 1--     -16.030                 47.016                 -6.916
 RC180  Fr= 1--       0.362                 -0.485                 -0.123
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.04    -0.04   0.02  -0.05     0.02  -0.01   0.01
     2   6    -0.06  -0.00   0.08    -0.00  -0.02   0.04     0.05   0.03  -0.02
     3   6     0.03  -0.00  -0.00     0.02   0.01  -0.05    -0.02   0.00  -0.00
     4   6    -0.04  -0.01   0.03    -0.06  -0.04   0.17    -0.00   0.00  -0.00
     5   6    -0.01   0.01  -0.03    -0.05   0.02  -0.05    -0.00  -0.01   0.02
     6   6     0.01   0.00  -0.02     0.06   0.01  -0.03     0.00  -0.00  -0.00
     7   6     0.02  -0.00  -0.06     0.00   0.00  -0.00    -0.11  -0.05  -0.03
     8   6     0.01   0.00   0.14     0.00  -0.00  -0.01    -0.05  -0.02  -0.04
     9   6    -0.00  -0.02  -0.09    -0.00   0.00   0.01     0.02  -0.00  -0.01
    10   6    -0.01  -0.00  -0.04     0.00  -0.00   0.00    -0.00   0.02   0.06
    11   6     0.02  -0.00  -0.01     0.16  -0.05  -0.05     0.01  -0.01  -0.00
    12   6    -0.00  -0.00   0.00    -0.03  -0.00  -0.01    -0.00   0.00  -0.00
    13   8     0.00   0.00   0.00    -0.00   0.02   0.04    -0.00   0.00   0.00
    14   8     0.00   0.00  -0.00     0.01  -0.01  -0.02     0.00  -0.00  -0.00
    15   1     0.00   0.01  -0.02     0.28  -0.05   0.07    -0.00   0.02   0.01
    16   1     0.05   0.01  -0.02     0.28   0.06  -0.23    -0.00   0.01  -0.02
    17   1     0.13  -0.01   0.03    -0.17   0.06  -0.10    -0.10   0.02  -0.02
    18   1     0.20   0.05  -0.15    -0.11  -0.02   0.08    -0.08  -0.00   0.06
    19   1    -0.31  -0.30  -0.14     0.12   0.04   0.02     0.29   0.23   0.07
    20   1     0.47   0.28   0.18    -0.13  -0.06  -0.03     0.45   0.29   0.19
    21   1     0.09  -0.23   0.16    -0.05   0.07  -0.03     0.61  -0.06   0.14
    22   1     0.03   0.06   0.16    -0.01  -0.00  -0.02     0.01  -0.01  -0.01
    23   1    -0.05   0.31  -0.07     0.01  -0.04   0.01    -0.06   0.07  -0.03
    24   1    -0.03  -0.14   0.15     0.01   0.02  -0.02    -0.04   0.02   0.00
    25   1     0.14  -0.01   0.01     0.00   0.00  -0.00    -0.14  -0.02   0.01
    26   1    -0.05   0.05   0.11    -0.00  -0.00  -0.01     0.06  -0.04  -0.11
    27   1    -0.08  -0.04   0.10    -0.00   0.01  -0.01     0.16  -0.00  -0.08
    28   1     0.05   0.00  -0.00    -0.58   0.29  -0.07    -0.06   0.03  -0.00
    29   6    -0.01   0.00   0.00    -0.06   0.01   0.03    -0.00   0.00   0.00
    30   1     0.00  -0.00   0.01     0.02  -0.04   0.23     0.00  -0.00   0.02
    31   1     0.02   0.00   0.01     0.18  -0.01   0.07     0.01  -0.00   0.00
    32   1    -0.01  -0.01  -0.01    -0.08  -0.10  -0.11    -0.00  -0.01  -0.01
    33   1     0.02   0.01   0.00     0.15   0.06  -0.05     0.01   0.00  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1341.0052              1346.0835              1352.6889
 Red. masses --      1.8151                 1.7080                 1.8224
 Frc consts  --      1.9232                 1.8234                 1.9647
 IR Inten    --      4.5809                18.4799                11.9520
 RamAct Fr= 1--      9.8491                 4.9009                 5.1884
  Dep-P Fr= 1--      0.5915                 0.6263                 0.7151
  Dep-U Fr= 1--      0.7433                 0.7702                 0.8339
 Alpha2 Fr= 1--      0.0291                 0.0110                 0.0031
 Beta2  Fr= 1--      1.2201                 0.6291                 0.7211
 AlphaG Fr= 1--      0.1394                 0.0442                 0.0356
 Gamma2 Fr= 1--     -0.2985                 3.8153                 3.8444
 Delta2 Fr= 1--     -1.0858                 2.6343                 1.3359
 Raman1 Fr= 1--      39.397                 19.603                 20.754
 ROA1   Fr= 1--     -63.397                450.571                411.810
 CID1   Fr= 1--      -1.609                 22.984                 19.843
 Raman2 Fr= 1--      14.641                  7.549                  8.653
 ROA2   Fr= 1--       1.523                 70.493                 81.578
 CID2   Fr= 1--       0.104                  9.338                  9.428
 Raman3 Fr= 1--      29.283                 15.099                 17.306
 ROA3   Fr= 1--     -63.397                450.571                411.810
 CID3   Fr= 1--      -2.165                 29.842                 23.796
 RC180  Fr= 1--       0.487                  0.540                  0.668
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.01   0.02    -0.03   0.01  -0.01    -0.03   0.01  -0.02
     2   6    -0.01   0.02  -0.05     0.01  -0.03   0.08     0.02  -0.05   0.13
     3   6    -0.04  -0.01   0.03     0.05   0.01  -0.04     0.06   0.01  -0.05
     4   6    -0.00   0.04  -0.06     0.01  -0.01   0.03     0.01  -0.00   0.01
     5   6     0.04  -0.01   0.02    -0.06   0.01  -0.02    -0.08   0.02  -0.03
     6   6    -0.04  -0.01   0.03     0.03   0.01  -0.02     0.03   0.01  -0.03
     7   6     0.01  -0.00   0.01    -0.00   0.01  -0.02     0.01   0.03  -0.04
     8   6     0.01   0.01   0.01    -0.02  -0.03  -0.01    -0.03  -0.07  -0.02
     9   6    -0.00  -0.00  -0.01     0.00   0.01   0.01     0.00   0.01   0.03
    10   6    -0.00  -0.00  -0.01     0.00   0.01   0.01     0.00   0.02   0.01
    11   6    -0.01  -0.16  -0.03    -0.04  -0.04  -0.04    -0.01  -0.02   0.02
    12   6    -0.03   0.07  -0.08     0.03  -0.13   0.11    -0.02   0.12  -0.09
    13   8    -0.01   0.02   0.06    -0.00   0.02  -0.02     0.00  -0.01   0.03
    14   8     0.01  -0.04  -0.01    -0.01   0.05  -0.00     0.01  -0.05   0.00
    15   1    -0.05   0.01  -0.02    -0.12   0.02  -0.05    -0.24   0.05  -0.10
    16   1    -0.01   0.01   0.02    -0.17  -0.04   0.11    -0.31  -0.04   0.21
    17   1    -0.01   0.03   0.01     0.19  -0.03   0.08     0.31  -0.07   0.12
    18   1     0.05   0.01  -0.04     0.08   0.01  -0.06     0.19   0.03  -0.14
    19   1    -0.10  -0.02  -0.02     0.14   0.01   0.01     0.14  -0.05  -0.00
    20   1     0.04   0.00  -0.01    -0.09  -0.01   0.02    -0.14  -0.01   0.02
    21   1    -0.05  -0.09  -0.01     0.09   0.19   0.02     0.18   0.41   0.05
    22   1     0.00   0.00   0.02    -0.01  -0.01  -0.04    -0.01  -0.01  -0.07
    23   1     0.00   0.02  -0.00    -0.02  -0.03   0.01    -0.03  -0.07   0.01
    24   1     0.00  -0.02   0.02    -0.01   0.03  -0.02    -0.01   0.06  -0.04
    25   1     0.01   0.01  -0.00    -0.02  -0.02   0.00    -0.03  -0.06   0.00
    26   1     0.00   0.01   0.02    -0.01  -0.01  -0.03    -0.02  -0.02  -0.05
    27   1    -0.02  -0.00   0.01     0.03  -0.00  -0.01     0.05  -0.01  -0.00
    28   1     0.07   0.70   0.33     0.13   0.64   0.27     0.15  -0.24  -0.04
    29   6     0.01   0.07  -0.03     0.01   0.02  -0.04     0.01   0.02   0.02
    30   1     0.02  -0.08   0.41    -0.02   0.09  -0.44     0.01  -0.08   0.40
    31   1    -0.01  -0.19  -0.13    -0.04   0.00  -0.05    -0.04  -0.09  -0.03
    32   1     0.04  -0.14   0.13     0.05   0.03   0.12    -0.02  -0.07  -0.08
    33   1     0.01   0.07   0.12     0.02   0.03   0.15    -0.05  -0.01  -0.09
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1369.4754              1372.5348              1376.9173
 Red. masses --      1.6280                 1.4804                 1.2994
 Frc consts  --      1.7989                 1.6432                 1.4514
 IR Inten    --      3.3975                 1.0416                 1.3827
 RamAct Fr= 1--     14.9994                 3.1381                17.7535
  Dep-P Fr= 1--      0.4291                 0.1530                 0.4330
  Dep-U Fr= 1--      0.6005                 0.2654                 0.6043
 Alpha2 Fr= 1--      0.0998                 0.0481                 0.1164
 Beta2  Fr= 1--      1.5011                 0.1388                 1.7882
 AlphaG Fr= 1--      0.1375                 0.1418                 0.1816
 Gamma2 Fr= 1--      0.8383                 0.6769                 2.9485
 Delta2 Fr= 1--     -2.4996                 0.0277                 0.0689
 Raman1 Fr= 1--      59.998                 12.552                 71.014
 ROA1   Fr= 1--       0.494                 65.867                285.264
 CID1   Fr= 1--       0.008                  5.247                  4.017
 Raman2 Fr= 1--      18.014                  1.666                 21.458
 ROA2   Fr= 1--      40.117                 16.024                 70.214
 CID2   Fr= 1--       2.227                  9.620                  3.272
 Raman3 Fr= 1--      36.028                  3.331                 42.917
 ROA3   Fr= 1--       0.494                 65.867                285.264
 CID3   Fr= 1--       0.014                 19.772                  6.647
 RC180  Fr= 1--       0.201                 -0.469                  0.209
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.01  -0.02    -0.03   0.01  -0.01    -0.05   0.01  -0.02
     2   6     0.03  -0.00   0.03    -0.02  -0.01   0.01    -0.01   0.01  -0.04
     3   6     0.05   0.00  -0.03     0.02   0.00  -0.01    -0.00  -0.00   0.01
     4   6     0.02  -0.02   0.06     0.00  -0.01   0.02     0.02  -0.02   0.06
     5   6    -0.06   0.01  -0.00    -0.02   0.00  -0.01     0.01  -0.01   0.01
     6   6     0.08   0.01  -0.05     0.02   0.00  -0.01     0.04   0.01  -0.03
     7   6    -0.08  -0.05   0.01     0.08   0.01   0.02     0.04   0.03  -0.00
     8   6     0.08   0.07   0.00    -0.12   0.11  -0.03    -0.03  -0.08   0.01
     9   6    -0.02  -0.02  -0.01     0.03   0.00  -0.04     0.01   0.01   0.02
    10   6    -0.01  -0.01  -0.01     0.01  -0.03   0.04     0.01   0.02   0.00
    11   6    -0.07  -0.01  -0.01    -0.02  -0.00  -0.00    -0.06  -0.00  -0.01
    12   6     0.00   0.04  -0.03     0.00   0.01  -0.01     0.00   0.02  -0.01
    13   8    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   8     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.17  -0.03   0.09     0.06  -0.02   0.02     0.29  -0.07   0.12
    16   1    -0.01  -0.00   0.02     0.01  -0.00   0.00     0.22   0.03  -0.14
    17   1    -0.07   0.01  -0.00     0.02  -0.00   0.01    -0.26   0.06  -0.09
    18   1    -0.19  -0.02   0.15    -0.03  -0.02   0.02    -0.28  -0.05   0.18
    19   1     0.31   0.31   0.11    -0.13  -0.08  -0.03    -0.27  -0.24  -0.09
    20   1     0.06   0.04   0.07    -0.37  -0.24  -0.14     0.09   0.04  -0.03
    21   1    -0.35  -0.41  -0.13     0.52  -0.50   0.13     0.17   0.44   0.08
    22   1     0.00   0.06   0.04     0.02  -0.18   0.13    -0.01   0.01  -0.06
    23   1     0.08   0.08   0.02    -0.05  -0.06  -0.06    -0.05  -0.04   0.00
    24   1     0.04  -0.04  -0.03    -0.02  -0.11   0.17    -0.03   0.06  -0.02
    25   1     0.05   0.07   0.01    -0.02   0.09   0.03    -0.04  -0.08  -0.01
    26   1     0.01   0.03   0.05     0.14  -0.02  -0.05    -0.03  -0.02  -0.03
    27   1    -0.04   0.01  -0.02     0.06   0.05  -0.12     0.01  -0.02   0.05
    28   1     0.49  -0.04   0.10     0.13  -0.01   0.02     0.43  -0.02   0.09
    29   6     0.02   0.02  -0.01     0.01   0.00  -0.00     0.01   0.01  -0.02
    30   1     0.00  -0.02   0.10     0.00  -0.00   0.02     0.00  -0.01   0.03
    31   1    -0.07  -0.04  -0.05    -0.02  -0.01  -0.01    -0.04   0.01  -0.02
    32   1     0.02  -0.02   0.02     0.01  -0.00   0.00     0.03   0.00   0.06
    33   1    -0.06  -0.01   0.03    -0.01  -0.00   0.01    -0.03  -0.00   0.07
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.5653              1417.9376              1423.1953
 Red. masses --      1.2572                 1.2303                 1.2351
 Frc consts  --      1.4592                 1.4574                 1.4739
 IR Inten    --      5.4133                 3.6217                 6.4352
 RamAct Fr= 1--      0.1062                 1.7319                 2.1973
  Dep-P Fr= 1--      0.6704                 0.5065                 0.3942
  Dep-U Fr= 1--      0.8027                 0.6724                 0.5655
 Alpha2 Fr= 1--      0.0001                 0.0083                 0.0166
 Beta2  Fr= 1--      0.0142                 0.1941                 0.2071
 AlphaG Fr= 1--      0.0015                -0.0121                 0.0095
 Gamma2 Fr= 1--     -0.1438                -0.1944                -0.0077
 Delta2 Fr= 1--     -0.0144                 0.0019                -0.1666
 Raman1 Fr= 1--       0.425                  6.928                  8.789
 ROA1   Fr= 1--     -14.266                -18.599                 -6.070
 CID1   Fr= 1--     -33.581                 -2.685                 -0.691
 Raman2 Fr= 1--       0.171                  2.329                  2.485
 ROA2   Fr= 1--      -3.336                 -4.680                  1.148
 CID2   Fr= 1--     -19.566                 -2.009                  0.462
 Raman3 Fr= 1--       0.341                  4.658                  4.970
 ROA3   Fr= 1--     -14.266                -18.599                 -6.070
 CID3   Fr= 1--     -41.834                 -3.993                 -1.221
 RC180  Fr= 1--       0.605                  0.345                  0.131
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.01   0.01    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
     7   6    -0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
     8   6     0.03  -0.03   0.01     0.00   0.00  -0.00    -0.00   0.01  -0.00
     9   6    -0.03   0.08  -0.03     0.00  -0.00   0.00     0.03  -0.09   0.04
    10   6    -0.11   0.02  -0.00    -0.00  -0.00   0.00    -0.09   0.00   0.01
    11   6    -0.00   0.00  -0.00    -0.00  -0.01   0.01     0.00   0.00  -0.00
    12   6     0.00  -0.00   0.00    -0.01   0.03  -0.03     0.00  -0.00   0.00
    13   8    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00   0.00
    15   1     0.00  -0.00   0.00    -0.04   0.01  -0.01    -0.00  -0.00  -0.00
    16   1     0.01   0.00  -0.01    -0.05  -0.01   0.02     0.01   0.00  -0.01
    17   1    -0.01   0.00  -0.01    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    18   1    -0.01   0.00   0.00     0.01   0.01  -0.02     0.00  -0.00  -0.00
    19   1     0.01  -0.01   0.00     0.03   0.02   0.00    -0.07   0.00  -0.02
    20   1     0.06   0.04   0.01    -0.02  -0.00   0.01    -0.09  -0.04   0.00
    21   1    -0.07   0.08  -0.01    -0.00  -0.01  -0.00     0.02  -0.01  -0.00
    22   1    -0.06  -0.33   0.16     0.00   0.01  -0.00     0.06   0.36  -0.18
    23   1     0.17  -0.34   0.00    -0.00   0.01   0.00    -0.15   0.40   0.02
    24   1     0.20  -0.23   0.20    -0.00   0.00  -0.01    -0.19   0.26  -0.27
    25   1     0.41  -0.09   0.15     0.00   0.00   0.00     0.36  -0.02   0.14
    26   1     0.39   0.12  -0.10    -0.00  -0.00  -0.00     0.35   0.09  -0.09
    27   1     0.36  -0.21  -0.09     0.00   0.00  -0.00     0.32  -0.15  -0.14
    28   1     0.01   0.00   0.00     0.03  -0.05  -0.01     0.00  -0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.06  -0.07  -0.09     0.00   0.00   0.00
    30   1    -0.00   0.00  -0.00     0.00  -0.02   0.08     0.00   0.00  -0.00
    31   1     0.00   0.01   0.00     0.33   0.43   0.18    -0.00  -0.01  -0.00
    32   1     0.00   0.00   0.01     0.06   0.35   0.43    -0.00  -0.00  -0.00
    33   1     0.00   0.00   0.01     0.37   0.10   0.43    -0.00  -0.00  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.2610              1485.6214              1490.3292
 Red. masses --      2.4503                 1.0755                 1.0468
 Frc consts  --      3.0785                 1.3985                 1.3698
 IR Inten    --      5.9070                 0.4703                 1.8476
 RamAct Fr= 1--      0.6097                 1.9079                11.6443
  Dep-P Fr= 1--      0.4435                 0.5817                 0.7168
  Dep-U Fr= 1--      0.6145                 0.7355                 0.8350
 Alpha2 Fr= 1--      0.0038                 0.0060                 0.0067
 Beta2  Fr= 1--      0.0624                 0.2339                 1.6206
 AlphaG Fr= 1--      0.0230                 0.0475                -0.0114
 Gamma2 Fr= 1--     -2.7647                 1.3797                 2.5262
 Delta2 Fr= 1--      1.3550                -0.3497                -0.5748
 Raman1 Fr= 1--       2.439                  7.632                 46.577
 ROA1   Fr= 1--    -222.050                121.259                224.120
 CID1   Fr= 1--     -91.051                 15.889                  4.812
 Raman2 Fr= 1--       0.749                  2.807                 19.447
 ROA2   Fr= 1--     -77.192                 35.909                 65.227
 CID2   Fr= 1--    -103.023                 12.795                  3.354
 Raman3 Fr= 1--       1.499                  5.613                 38.893
 ROA3   Fr= 1--    -222.050                121.259                224.120
 CID3   Fr= 1--    -148.178                 21.602                  5.762
 RC180  Fr= 1--       0.229                  0.471                  0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.01  -0.05     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.02  -0.05   0.14     0.01   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.14   0.02  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.02  -0.05   0.14     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.14   0.00  -0.04    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.14   0.02  -0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.01   0.00  -0.04    -0.05   0.03   0.02     0.02  -0.01  -0.01
     8   6     0.00   0.01  -0.00     0.02  -0.01  -0.00    -0.01   0.00  -0.00
     9   6    -0.00   0.00   0.00     0.03   0.01   0.00    -0.00   0.01   0.03
    10   6     0.00  -0.01   0.00    -0.01  -0.03  -0.01    -0.00  -0.01  -0.04
    11   6    -0.04   0.02  -0.04    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   8    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    15   1    -0.28   0.10  -0.22    -0.02   0.00  -0.01     0.01   0.00   0.01
    16   1     0.25   0.09  -0.30     0.00   0.00  -0.01    -0.00  -0.00   0.01
    17   1    -0.32   0.11  -0.24    -0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1     0.21   0.08  -0.28    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   1     0.20   0.13   0.02     0.25  -0.37   0.08    -0.11   0.17  -0.03
    20   1    -0.19  -0.02   0.09     0.20  -0.06  -0.39    -0.09   0.03   0.18
    21   1    -0.01  -0.03  -0.01    -0.03  -0.01  -0.01     0.06  -0.02   0.01
    22   1    -0.01  -0.03  -0.03     0.02   0.13  -0.21    -0.07  -0.26  -0.35
    23   1    -0.02   0.01  -0.00    -0.32  -0.16  -0.09    -0.17   0.18  -0.01
    24   1     0.03  -0.02  -0.00    -0.11  -0.07   0.24     0.33  -0.11  -0.12
    25   1     0.02   0.04   0.01     0.02   0.40   0.01    -0.24   0.17  -0.09
    26   1    -0.04  -0.02  -0.00    -0.10   0.08   0.28     0.12   0.24   0.42
    27   1    -0.01   0.03  -0.05     0.19  -0.04  -0.17     0.16  -0.29   0.25
    28   1     0.39  -0.04   0.03     0.01  -0.00   0.00    -0.01   0.00  -0.00
    29   6     0.01   0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
    31   1    -0.06  -0.00  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   1     0.00  -0.04  -0.04    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    33   1    -0.06  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1495.7550              1497.7360              1501.8444
 Red. masses --      1.0458                 1.0766                 1.0532
 Frc consts  --      1.3785                 1.4228                 1.3996
 IR Inten    --      5.5473                 3.0687                11.4593
 RamAct Fr= 1--      5.8356                 4.3999                 6.9992
  Dep-P Fr= 1--      0.6293                 0.6758                 0.5895
  Dep-U Fr= 1--      0.7725                 0.8065                 0.7417
 Alpha2 Fr= 1--      0.0128                 0.0058                 0.0209
 Beta2  Fr= 1--      0.7513                 0.5914                 0.8653
 AlphaG Fr= 1--      0.0380                 0.0100                 0.1201
 Gamma2 Fr= 1--      0.0561                -0.0308                 2.0207
 Delta2 Fr= 1--     -1.2061                -1.1622                 2.0745
 Raman1 Fr= 1--      23.342                 17.600                 27.997
 ROA1   Fr= 1--     -33.215                -40.149                260.373
 CID1   Fr= 1--      -1.423                 -2.281                  9.300
 Raman2 Fr= 1--       9.016                  7.097                 10.383
 ROA2   Fr= 1--      10.995                  8.558                 31.901
 CID2   Fr= 1--       1.219                  1.206                  3.072
 Raman3 Fr= 1--      18.032                 14.195                 20.766
 ROA3   Fr= 1--     -33.215                -40.149                260.373
 CID3   Fr= 1--      -1.842                 -2.828                 12.538
 RC180  Fr= 1--       0.545                  0.613                  0.483
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.01   0.00  -0.00    -0.01  -0.00  -0.01     0.00  -0.00   0.01
     3   6     0.01   0.00  -0.01     0.01  -0.00   0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.01     0.01  -0.00  -0.00
     5   6     0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00  -0.00     0.04  -0.03  -0.03    -0.00   0.00  -0.00
     8   6     0.00  -0.00   0.00     0.02  -0.02   0.01    -0.00  -0.00   0.00
     9   6     0.00   0.00  -0.00     0.02   0.02  -0.00    -0.00   0.00   0.00
    10   6    -0.00  -0.00   0.00    -0.01  -0.02   0.01     0.00  -0.00   0.00
    11   6    -0.02  -0.00   0.01     0.00  -0.00   0.00    -0.02   0.03  -0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.01
    13   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1    -0.02   0.00  -0.01     0.03  -0.00   0.02    -0.00   0.00  -0.00
    16   1    -0.01  -0.00   0.00    -0.01  -0.01   0.01    -0.01  -0.02   0.00
    17   1    -0.03   0.01  -0.01     0.00  -0.00   0.01    -0.00  -0.00  -0.00
    18   1    -0.02  -0.00   0.01    -0.01  -0.00   0.01    -0.00   0.00  -0.00
    19   1    -0.01   0.01  -0.00    -0.25   0.38  -0.08     0.01  -0.00   0.00
    20   1    -0.00   0.00   0.02    -0.15   0.10   0.43    -0.00  -0.00  -0.00
    21   1    -0.00   0.00  -0.00    -0.05   0.07  -0.01     0.00   0.00   0.00
    22   1     0.00   0.01  -0.00     0.01   0.13  -0.18    -0.00  -0.01   0.00
    23   1    -0.01  -0.01  -0.00    -0.31  -0.22  -0.09     0.01   0.01   0.00
    24   1    -0.01  -0.00   0.01    -0.12  -0.09   0.29     0.01   0.00  -0.01
    25   1     0.01   0.01   0.00     0.16   0.24   0.06     0.00   0.01   0.00
    26   1    -0.01  -0.00  -0.00    -0.19  -0.09  -0.02    -0.01  -0.00   0.00
    27   1     0.00   0.01  -0.01     0.04   0.16  -0.30     0.00   0.00  -0.01
    28   1     0.07   0.02   0.04    -0.02   0.00  -0.00     0.01  -0.05  -0.03
    29   6    -0.04  -0.01   0.03     0.00   0.00  -0.00    -0.03   0.04  -0.02
    30   1    -0.00   0.00  -0.02     0.00  -0.00   0.00    -0.00   0.00  -0.02
    31   1     0.06  -0.46  -0.13     0.01   0.02   0.01     0.62  -0.21   0.02
    32   1     0.01   0.50   0.06     0.00  -0.02   0.01     0.06  -0.34   0.53
    33   1     0.51   0.13  -0.47    -0.02  -0.01   0.01    -0.25  -0.07  -0.30
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.4219              1511.4163              1551.5079
 Red. masses --      1.0527                 1.0509                 2.4430
 Frc consts  --      1.4038                 1.4144                 3.4648
 IR Inten    --      4.7457                12.3174                27.6026
 RamAct Fr= 1--      7.7077                 1.4168                 0.3639
  Dep-P Fr= 1--      0.7402                 0.4683                 0.7428
  Dep-U Fr= 1--      0.8507                 0.6378                 0.8524
 Alpha2 Fr= 1--      0.0013                 0.0081                 0.0000
 Beta2  Fr= 1--      1.0928                 0.1506                 0.0517
 AlphaG Fr= 1--      0.0111                -0.0036                 0.0010
 Gamma2 Fr= 1--     -0.6291                -1.7467                 0.5555
 Delta2 Fr= 1--      0.3079                -0.3980                 0.3794
 Raman1 Fr= 1--      30.831                  5.667                  1.455
 ROA1   Fr= 1--     -50.539               -180.417                 65.464
 CID1   Fr= 1--      -1.639                -31.836                 44.980
 Raman2 Fr= 1--      13.114                  1.807                  0.620
 ROA2   Fr= 1--     -17.561                -38.737                 10.296
 CID2   Fr= 1--      -1.339                -21.433                 16.598
 Raman3 Fr= 1--      26.227                  3.615                  1.241
 ROA3   Fr= 1--     -50.539               -180.417                 65.464
 CID3   Fr= 1--      -1.927                -49.911                 52.767
 RC180  Fr= 1--       0.701                  0.276                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.16  -0.01  -0.02
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.09  -0.03   0.11
     4   6     0.00  -0.00   0.01    -0.00  -0.00   0.00     0.16  -0.01  -0.01
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.11   0.04  -0.09
     6   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.08  -0.03   0.11
     7   6    -0.00  -0.01  -0.00     0.02  -0.00  -0.00    -0.03   0.00   0.00
     8   6     0.02   0.03  -0.01    -0.01  -0.03  -0.03    -0.00  -0.00  -0.00
     9   6     0.03  -0.00  -0.01    -0.01  -0.01  -0.03     0.00   0.00  -0.00
    10   6    -0.01   0.03  -0.02    -0.00  -0.02  -0.02     0.00   0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.03  -0.00   0.01
    12   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
    13   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   1    -0.01   0.00  -0.00    -0.01  -0.00  -0.01     0.43  -0.07   0.11
    16   1    -0.00   0.00  -0.00    -0.01  -0.00   0.00     0.42   0.05  -0.23
    17   1    -0.00   0.00  -0.00    -0.01   0.00  -0.00     0.44  -0.08   0.12
    18   1     0.01   0.00  -0.01    -0.00  -0.00   0.00     0.40   0.04  -0.21
    19   1     0.03   0.05   0.00    -0.06   0.12  -0.02    -0.04   0.02   0.00
    20   1    -0.03  -0.01   0.01    -0.07   0.02   0.12    -0.04   0.01   0.02
    21   1    -0.02  -0.04  -0.03     0.04   0.08  -0.02     0.01   0.00   0.00
    22   1     0.05   0.28  -0.08     0.07   0.22   0.49     0.00   0.01   0.01
    23   1    -0.28  -0.28  -0.09     0.35  -0.16   0.06     0.00  -0.01  -0.00
    24   1    -0.28  -0.04   0.34    -0.33   0.18   0.00    -0.02   0.01   0.00
    25   1    -0.19  -0.41  -0.07    -0.15   0.29  -0.06    -0.01   0.01  -0.00
    26   1     0.30   0.10  -0.05     0.01   0.17   0.38    -0.00   0.01   0.01
    27   1    -0.11  -0.20   0.42     0.20  -0.18   0.05     0.02  -0.01  -0.00
    28   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.00   0.01
    29   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    31   1     0.02  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.04  -0.01
    32   1     0.00  -0.01   0.02    -0.00  -0.00  -0.00     0.00   0.06   0.02
    33   1    -0.01  -0.00  -0.01    -0.00  -0.00   0.00     0.06   0.01  -0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1617.6623              1658.0434              1809.3719
 Red. masses --      5.9639                 5.8250                 9.5562
 Frc consts  --      9.1951                 9.4350                18.4328
 IR Inten    --      0.1271                 1.8041               330.5545
 RamAct Fr= 1--      1.3810               200.1108                25.2489
  Dep-P Fr= 1--      0.4218                 0.4625                 0.1816
  Dep-U Fr= 1--      0.5933                 0.6324                 0.3074
 Alpha2 Fr= 1--      0.0094                 1.1657                 0.3599
 Beta2  Fr= 1--      0.1366                21.0933                 1.2934
 AlphaG Fr= 1--     -0.1190                 0.7470                -0.0537
 Gamma2 Fr= 1--      0.1203                 5.8854                 3.0821
 Delta2 Fr= 1--     -0.1841                -0.4434                -3.5622
 Raman1 Fr= 1--       5.524                800.443                100.996
 ROA1   Fr= 1--       5.657                550.809                181.895
 CID1   Fr= 1--       1.024                  0.688                  1.801
 Raman2 Fr= 1--       1.639                253.119                 15.521
 ROA2   Fr= 1--       4.360                144.797                102.469
 CID2   Fr= 1--       2.661                  0.572                  6.602
 Raman3 Fr= 1--       3.277                506.239                 31.041
 ROA3   Fr= 1--       5.657                550.809                181.895
 CID3   Fr= 1--       1.726                  1.088                  5.860
 RC180  Fr= 1--       0.187                  0.265                 -0.385
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12   0.07  -0.18     0.30  -0.04   0.04     0.01  -0.00  -0.00
     2   6     0.03  -0.11   0.32    -0.21   0.01   0.02    -0.00   0.00   0.00
     3   6    -0.08  -0.07   0.21    -0.27  -0.01   0.10    -0.01  -0.00   0.01
     4   6    -0.03   0.11  -0.32     0.19  -0.01  -0.02     0.03  -0.00  -0.01
     5   6     0.11  -0.07   0.18    -0.29   0.04  -0.04    -0.01   0.00  -0.00
     6   6     0.08   0.06  -0.20     0.28   0.01  -0.11     0.01  -0.00  -0.00
     7   6    -0.01   0.01  -0.04     0.03  -0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.00   0.01  -0.00     0.01   0.01   0.00     0.00   0.00   0.00
     9   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6     0.02  -0.01   0.04    -0.02  -0.00   0.01     0.01  -0.06  -0.04
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.02    -0.14   0.41   0.55
    13   8    -0.00   0.00   0.00    -0.00   0.01   0.01     0.08  -0.24  -0.37
    14   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.03  -0.05
    15   1     0.31  -0.02  -0.03    -0.31   0.09  -0.20    -0.00   0.00  -0.01
    16   1     0.32  -0.00  -0.05     0.26   0.07  -0.27     0.03   0.00  -0.02
    17   1    -0.29   0.01   0.03     0.29  -0.09   0.19     0.02   0.01   0.01
    18   1    -0.30   0.01   0.04    -0.26  -0.07   0.27    -0.01  -0.00   0.01
    19   1     0.24   0.01   0.03     0.01   0.01  -0.01    -0.00   0.00  -0.00
    20   1    -0.16  -0.04  -0.00     0.03   0.01   0.01    -0.00  -0.00   0.00
    21   1     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.00   0.00   0.00
    22   1     0.00   0.01   0.01    -0.00  -0.01  -0.01     0.00   0.00   0.00
    23   1     0.00  -0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   1    -0.01   0.00   0.01     0.01  -0.01   0.01    -0.00   0.00   0.00
    25   1    -0.01  -0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.02   0.01   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    27   1    -0.00  -0.01   0.02    -0.01   0.00   0.00    -0.00   0.00   0.00
    28   1    -0.28   0.04  -0.01    -0.01  -0.00   0.00    -0.09   0.22   0.09
    29   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    30   1    -0.00   0.00  -0.01     0.00   0.00  -0.01     0.01  -0.09   0.47
    31   1    -0.03  -0.02  -0.01     0.01  -0.00  -0.00     0.01   0.00   0.00
    32   1     0.00   0.03  -0.01    -0.00   0.02   0.01     0.01   0.02   0.02
    33   1     0.02   0.00  -0.01     0.02   0.01   0.00     0.03  -0.01   0.02
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3003.8735              3018.5192              3020.4147
 Red. masses --      1.0811                 1.0505                 1.0403
 Frc consts  --      5.7474                 5.6392                 5.5918
 IR Inten    --      3.0921                 8.9936                41.7016
 RamAct Fr= 1--    149.1123                17.1129                33.8653
  Dep-P Fr= 1--      0.1971                 0.6878                 0.2757
  Dep-U Fr= 1--      0.3293                 0.8150                 0.4323
 Alpha2 Fr= 1--      2.0406                 0.0187                 0.3730
 Beta2  Fr= 1--      8.1839                 2.3246                 2.4399
 AlphaG Fr= 1--      1.3118                 0.0640                -0.2176
 Gamma2 Fr= 1--     12.1685                -5.3745                 1.0399
 Delta2 Fr= 1--      7.1105                -2.9406                -3.8777
 Raman1 Fr= 1--     596.449                 68.452                135.461
 ROA1   Fr= 1--    1395.715               -610.049                -24.259
 CID1   Fr= 1--       2.340                 -8.912                 -0.179
 Raman2 Fr= 1--      98.206                 27.895                 29.279
 ROA2   Fr= 1--     235.161               -105.462                 55.979
 CID2   Fr= 1--       2.395                 -3.781                  1.912
 Raman3 Fr= 1--     196.413                 55.790                 58.558
 ROA3   Fr= 1--    1395.715               -610.049                -24.259
 CID3   Fr= 1--       7.106                -10.935                 -0.414
 RC180  Fr= 1--      -0.341                  0.630                 -0.135
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.01   0.00   0.02     0.03  -0.04  -0.03    -0.01   0.02   0.01
     8   6     0.02   0.00  -0.07     0.00  -0.00  -0.01     0.00  -0.00   0.00
     9   6    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.03  -0.03
    10   6    -0.00  -0.00   0.01    -0.03   0.01   0.01    -0.03   0.00   0.01
    11   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00     0.01   0.00  -0.01    -0.00   0.00   0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    17   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.01   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1     0.06   0.01  -0.24    -0.12  -0.02   0.52     0.06   0.01  -0.26
    20   1     0.00  -0.02   0.01    -0.20   0.48  -0.22     0.09  -0.22   0.10
    21   1    -0.24  -0.02   0.90    -0.03  -0.00   0.10    -0.00   0.00  -0.00
    22   1    -0.00   0.00   0.00    -0.03   0.01   0.00     0.28  -0.03  -0.03
    23   1     0.04   0.01  -0.18     0.02   0.00  -0.08    -0.13  -0.02   0.53
    24   1    -0.01  -0.00   0.00     0.01   0.02   0.02    -0.17  -0.26  -0.18
    25   1     0.04   0.00  -0.12     0.12   0.01  -0.41     0.11   0.01  -0.39
    26   1    -0.01   0.04  -0.01     0.08  -0.28   0.13     0.08  -0.27   0.13
    27   1    -0.02  -0.03  -0.01     0.13   0.21   0.14     0.14   0.22   0.15
    28   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    29   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    31   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    32   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    33   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.9051              3045.4339              3056.3392
 Red. masses --      1.0439                 1.0362                 1.1034
 Frc consts  --      5.6353                 5.6622                 6.0727
 IR Inten    --     48.7072                27.6740                15.4980
 RamAct Fr= 1--    441.9217               258.7508                35.1617
  Dep-P Fr= 1--      0.0111                 0.0689                 0.6927
  Dep-U Fr= 1--      0.0219                 0.1288                 0.8184
 Alpha2 Fr= 1--      9.5698                 4.8857                 0.0353
 Beta2  Fr= 1--      1.6114                 5.5563                 4.7963
 AlphaG Fr= 1--     -1.1243                -0.9196                -0.2871
 Gamma2 Fr= 1--     -2.1017                 0.1005                -0.5262
 Delta2 Fr= 1--     -0.3086                 3.3760                 2.4252
 Raman1 Fr= 1--    1767.687               1035.003                140.647
 ROA1   Fr= 1--    -211.636                117.685                 27.088
 CID1   Fr= 1--      -0.120                  0.114                  0.193
 Raman2 Fr= 1--      19.337                 66.675                 57.556
 ROA2   Fr= 1--     -47.971                -24.595                -32.031
 CID2   Fr= 1--      -2.481                 -0.369                 -0.557
 Raman3 Fr= 1--      38.674                133.351                115.111
 ROA3   Fr= 1--    -211.636                117.685                 27.088
 CID3   Fr= 1--      -5.472                  0.883                  0.235
 RC180  Fr= 1--      -0.956                 -0.742                  0.637
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.02  -0.03  -0.01     0.00  -0.00   0.00    -0.01   0.05  -0.08
     8   6     0.00  -0.00  -0.02     0.00   0.00  -0.00     0.00   0.00  -0.01
     9   6    -0.00   0.03  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.01
    10   6     0.03  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01   0.01
    11   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1     0.00   0.00  -0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    16   1     0.00  -0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
    19   1    -0.06  -0.01   0.27    -0.00  -0.00   0.00    -0.16  -0.01   0.67
    20   1    -0.13   0.31  -0.14    -0.00   0.00  -0.00     0.24  -0.58   0.25
    21   1    -0.05  -0.00   0.19    -0.00  -0.00   0.00    -0.03  -0.00   0.13
    22   1     0.29  -0.04  -0.03     0.00  -0.00  -0.00     0.05  -0.00  -0.00
    23   1    -0.12  -0.02   0.49    -0.00  -0.00   0.00     0.01   0.00  -0.04
    24   1    -0.17  -0.26  -0.18    -0.00  -0.00  -0.00    -0.04  -0.06  -0.04
    25   1    -0.10  -0.01   0.32    -0.00  -0.00   0.00     0.03  -0.00  -0.10
    26   1    -0.08   0.27  -0.12    -0.00   0.00  -0.00    -0.03   0.11  -0.05
    27   1    -0.13  -0.21  -0.14    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01
    28   1    -0.00  -0.00   0.00    -0.00  -0.01   0.02    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.04  -0.03  -0.02    -0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00    -0.08  -0.15   0.40    -0.00  -0.00   0.00
    32   1    -0.00   0.00   0.00     0.68  -0.04  -0.13     0.00  -0.00  -0.00
    33   1     0.00  -0.00   0.00    -0.18   0.55  -0.04    -0.00   0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3077.9171              3084.2591              3084.3764
 Red. masses --      1.0993                 1.0860                 1.0983
 Frc consts  --      6.1361                 6.0868                 6.1562
 IR Inten    --     11.1039                 0.8001                58.2038
 RamAct Fr= 1--     26.3676                68.5457               115.9718
  Dep-P Fr= 1--      0.7471                 0.4676                 0.3058
  Dep-U Fr= 1--      0.8552                 0.6372                 0.4684
 Alpha2 Fr= 1--      0.0013                 0.3909                 1.1688
 Beta2  Fr= 1--      3.7584                 7.2796                 9.0536
 AlphaG Fr= 1--     -0.0140                 0.5357                -1.9909
 Gamma2 Fr= 1--    -11.4278               -32.5641                36.6304
 Delta2 Fr= 1--      3.9302               -25.8272                 9.0959
 Raman1 Fr= 1--     105.470                274.183                463.887
 ROA1   Fr= 1--    -971.299              -3952.623               3807.584
 CID1   Fr= 1--      -9.209                -14.416                  8.208
 Raman2 Fr= 1--      45.100                 87.355                108.643
 ROA2   Fr= 1--    -305.708               -574.921                806.361
 CID2   Fr= 1--      -6.778                 -6.581                  7.422
 Raman3 Fr= 1--      90.200                174.711                217.285
 ROA3   Fr= 1--    -971.299              -3952.623               3807.584
 CID3   Fr= 1--     -10.768                -22.624                 17.523
 RC180  Fr= 1--       0.710                  0.274                 -0.063
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.01
     8   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.02
     9   6    -0.00   0.03   0.05    -0.00   0.01   0.01     0.00  -0.03  -0.05
    10   6    -0.01   0.01  -0.07     0.00  -0.01   0.01    -0.00   0.03  -0.05
    11   6     0.00   0.00  -0.00     0.02   0.03  -0.07     0.00   0.01  -0.02
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.01
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
    17   1    -0.00  -0.00   0.00     0.01   0.01  -0.03     0.00   0.00  -0.01
    18   1    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.01
    19   1    -0.01  -0.00   0.04     0.01  -0.00  -0.03    -0.02   0.00   0.11
    20   1     0.01  -0.03   0.01    -0.01   0.02  -0.01     0.03  -0.08   0.03
    21   1    -0.01   0.00   0.04     0.01   0.00  -0.05    -0.05  -0.01   0.19
    22   1     0.17  -0.02  -0.00     0.04  -0.00  -0.00    -0.16   0.02   0.00
    23   1     0.09   0.03  -0.36     0.03   0.01  -0.11    -0.10  -0.03   0.42
    24   1    -0.23  -0.36  -0.23    -0.07  -0.10  -0.06     0.25   0.39   0.24
    25   1    -0.17  -0.01   0.53     0.03  -0.00  -0.10    -0.12   0.00   0.39
    26   1     0.10  -0.34   0.14    -0.03   0.10  -0.05     0.13  -0.41   0.18
    27   1     0.17   0.27   0.16    -0.01  -0.02  -0.01     0.03   0.05   0.02
    28   1    -0.00  -0.00   0.00    -0.18  -0.34   0.86    -0.05  -0.09   0.22
    29   6     0.00  -0.00  -0.00    -0.01  -0.01   0.02    -0.00  -0.00   0.00
    30   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00     0.04   0.07  -0.18     0.01   0.02  -0.05
    32   1    -0.00   0.00   0.00     0.07  -0.01  -0.01     0.02  -0.00  -0.00
    33   1    -0.00   0.00  -0.00    -0.01   0.03   0.00    -0.00   0.01   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3090.1181              3104.1100              3106.9954
 Red. masses --      1.1013                 1.1002                 1.1021
 Frc consts  --      6.1961                 6.2461                 6.2684
 IR Inten    --     42.3266                33.0066                25.3044
 RamAct Fr= 1--    139.7857                57.6681               122.5889
  Dep-P Fr= 1--      0.6506                 0.7052                 0.7060
  Dep-U Fr= 1--      0.7883                 0.8271                 0.8277
 Alpha2 Fr= 1--      0.2494                 0.0449                 0.0937
 Beta2  Fr= 1--     18.3659                 7.9497                16.9103
 AlphaG Fr= 1--     -0.3312                -0.1587                 0.1956
 Gamma2 Fr= 1--      2.3069               -11.1640                -3.5208
 Delta2 Fr= 1--      8.1901                -0.5567                -5.3020
 Raman1 Fr= 1--     559.143                230.672                490.356
 ROA1   Fr= 1--     483.545              -1089.559               -507.659
 CID1   Fr= 1--       0.865                 -4.723                 -1.035
 Raman2 Fr= 1--     220.391                 95.396                202.924
 ROA2   Fr= 1--     -10.155               -263.482                -42.083
 CID2   Fr= 1--      -0.046                 -2.762                 -0.207
 Raman3 Fr= 1--     440.781                190.793                405.848
 ROA3   Fr= 1--     483.545              -1089.559               -507.659
 CID3   Fr= 1--       1.097                 -5.711                 -1.251
 RC180  Fr= 1--       0.577                  0.654                  0.655
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   6     0.00  -0.01  -0.02    -0.09  -0.02   0.00    -0.00  -0.00  -0.00
    10   6    -0.01  -0.09  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   1    -0.00   0.00   0.01     0.00   0.00  -0.01     0.00   0.00  -0.00
    20   1    -0.01   0.02  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    21   1    -0.01  -0.00   0.05     0.01   0.00  -0.03     0.00   0.00  -0.00
    22   1    -0.09   0.01   0.01     0.86  -0.12  -0.08     0.01  -0.00  -0.00
    23   1    -0.03  -0.01   0.13     0.02   0.00  -0.17     0.00   0.00  -0.00
    24   1     0.07   0.11   0.07     0.19   0.33   0.22     0.00   0.01   0.00
    25   1    -0.04  -0.02   0.12     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.16   0.48  -0.24    -0.01   0.02  -0.01    -0.00   0.00  -0.00
    27   1     0.37   0.57   0.38     0.02   0.02   0.02     0.00   0.00   0.00
    28   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.02   0.06
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.07  -0.05  -0.02
    30   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    31   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.06   0.14
    32   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.67   0.02   0.12
    33   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.20   0.68  -0.05
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3131.0762              3158.5428              3165.3189
 Red. masses --      1.1003                 1.0868                 1.0882
 Frc consts  --      6.3558                 6.3883                 6.4236
 IR Inten    --     15.0210                11.3620                12.9730
 RamAct Fr= 1--     31.4907                60.9061                62.3156
  Dep-P Fr= 1--      0.6066                 0.6571                 0.4879
  Dep-U Fr= 1--      0.7551                 0.7931                 0.6558
 Alpha2 Fr= 1--      0.0833                 0.1012                 0.3252
 Beta2  Fr= 1--      3.9633                 8.0503                 6.8114
 AlphaG Fr= 1--     -0.0492                 0.1697                -0.2152
 Gamma2 Fr= 1--     -1.1388                -0.4941                -1.1165
 Delta2 Fr= 1--      1.2695                 0.3883                 0.5121
 Raman1 Fr= 1--     125.963                243.625                249.262
 ROA1   Fr= 1--     -68.702                -35.007                -90.801
 CID1   Fr= 1--      -0.545                 -0.144                 -0.364
 Raman2 Fr= 1--      47.560                 96.604                 81.737
 ROA2   Fr= 1--     -37.488                -14.964                -30.894
 CID2   Fr= 1--      -0.788                 -0.155                 -0.378
 Raman3 Fr= 1--      95.119                193.208                163.474
 ROA3   Fr= 1--     -68.702                -35.007                -90.801
 CID3   Fr= 1--      -0.722                 -0.181                 -0.555
 RC180  Fr= 1--       0.510                  0.586                  0.312
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.03   0.02  -0.07
     2   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.02
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.02  -0.01   0.04     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.04   0.02  -0.05    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.01  -0.02    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.01  -0.00   0.01     0.00   0.00  -0.01    -0.38  -0.25   0.83
    16   1    -0.03   0.01  -0.04     0.01  -0.01   0.02    -0.17   0.10  -0.23
    17   1     0.01   0.01  -0.02     0.22   0.14  -0.48    -0.02  -0.01   0.04
    18   1     0.00  -0.00   0.01     0.47  -0.26   0.63     0.03  -0.02   0.04
    19   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00   0.02
    20   1     0.00  -0.00   0.00     0.01  -0.01   0.00     0.00  -0.00   0.00
    21   1    -0.00  -0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    23   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    24   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   1    -0.04  -0.07   0.19     0.01   0.01  -0.02     0.00   0.00  -0.00
    29   6     0.02   0.05  -0.07    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    31   1    -0.15  -0.29   0.80     0.00   0.00  -0.01     0.00   0.01  -0.02
    32   1    -0.20   0.02   0.02     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    33   1     0.13  -0.38   0.01    -0.00   0.00   0.00    -0.00   0.01  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3176.9931              3193.5886              3727.7420
 Red. masses --      1.0936                 1.0922                 1.0641
 Frc consts  --      6.5033                 6.5629                 8.7118
 IR Inten    --     13.4159                 5.7781                67.2085
 RamAct Fr= 1--    136.8228               104.4245               160.4330
  Dep-P Fr= 1--      0.1615                 0.1653                 0.2480
  Dep-U Fr= 1--      0.2781                 0.2837                 0.3974
 Alpha2 Fr= 1--      2.0542                 1.5526                 1.9124
 Beta2  Fr= 1--      6.3406                 4.9367                10.6253
 AlphaG Fr= 1--     -0.2337                 0.1053                -0.3879
 Gamma2 Fr= 1--     -0.0786                 2.1206                 5.1117
 Delta2 Fr= 1--     -0.4966                 0.3220                -1.8353
 Raman1 Fr= 1--     547.291                417.698                641.732
 ROA1   Fr= 1--     -23.438                213.886                431.995
 CID1   Fr= 1--      -0.043                  0.512                  0.673
 Raman2 Fr= 1--      76.088                 59.241                127.503
 ROA2   Fr= 1--       2.086                 48.319                137.363
 CID2   Fr= 1--       0.027                  0.816                  1.077
 Raman3 Fr= 1--     152.175                118.482                255.006
 ROA3   Fr= 1--     -23.438                213.886                431.995
 CID3   Fr= 1--      -0.154                  1.805                  1.694
 RC180  Fr= 1--      -0.444                 -0.433                 -0.205
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.01   0.01  -0.02     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.05   0.03  -0.06    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.03   0.02  -0.06    -0.00  -0.00   0.00     0.00   0.00   0.00
     6   6    -0.03   0.01  -0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.02  -0.06  -0.01
    15   1     0.02   0.01  -0.05    -0.13  -0.08   0.26    -0.00  -0.00   0.00
    16   1     0.04  -0.02   0.05     0.54  -0.30   0.72     0.00  -0.00  -0.00
    17   1    -0.34  -0.22   0.73     0.01   0.01  -0.03     0.00  -0.00  -0.00
    18   1     0.31  -0.17   0.41    -0.02   0.01  -0.03    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    20   1     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.00   0.00   0.01     0.00   0.00  -0.00     0.00  -0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    24   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    27   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    28   1    -0.01  -0.01   0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.27   0.96   0.11
    31   1    -0.00  -0.00   0.01    -0.01  -0.01   0.04     0.00   0.00  -0.00
    32   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    33   1     0.00  -0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1345.734926925.358827223.32019
           X            0.99983   0.01747   0.00518
           Y           -0.01717   0.99844  -0.05315
           Z           -0.00610   0.05305   0.99857
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06436     0.01251     0.01199
 Rotational constants (GHZ):           1.34108     0.26060     0.24985
 Zero-point vibrational energy     746220.3 (Joules/Mol)
                                  178.35094 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     31.85    53.18    64.43    79.12    97.43
          (Kelvin)            160.08   239.92   284.71   327.17   335.90
                              359.77   366.04   427.69   458.38   497.95
                              557.48   586.06   603.26   615.26   652.98
                              795.25   835.87   871.49   914.20   953.69
                             1045.88  1083.48  1154.99  1184.48  1200.64
                             1224.94  1233.33  1255.81  1290.67  1347.41
                             1374.97  1382.58  1398.36  1401.82  1441.47
                             1503.23  1524.98  1567.38  1599.83  1638.71
                             1658.44  1707.60  1717.70  1745.41  1757.11
                             1779.83  1797.02  1867.06  1897.57  1929.41
                             1936.71  1946.22  1970.37  1974.77  1981.08
                             2019.42  2040.10  2047.66  2100.99  2137.48
                             2144.25  2152.06  2154.91  2160.82  2164.53
                             2174.59  2232.27  2327.46  2385.55  2603.28
                             4321.90  4342.98  4345.70  4355.04  4381.70
                             4397.39  4428.44  4437.56  4437.73  4445.99
                             4466.12  4470.27  4504.92  4544.44  4554.19
                             4570.98  4594.86  5363.39
 
 Zero-point correction=                           0.284220 (Hartree/Particle)
 Thermal correction to Energy=                    0.299899
 Thermal correction to Enthalpy=                  0.300843
 Thermal correction to Gibbs Free Energy=         0.239452
 Sum of electronic and zero-point Energies=           -656.738499
 Sum of electronic and thermal Energies=              -656.722821
 Sum of electronic and thermal Enthalpies=            -656.721877
 Sum of electronic and thermal Free Energies=         -656.783268
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.189             58.758            129.209
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.576
 Vibrational            186.412             52.797             54.758
 Vibration     1          0.593              1.985              6.433
 Vibration     2          0.594              1.982              5.416
 Vibration     3          0.595              1.979              5.036
 Vibration     4          0.596              1.976              4.629
 Vibration     5          0.598              1.970              4.219
 Vibration     6          0.607              1.940              3.247
 Vibration     7          0.624              1.883              2.472
 Vibration     8          0.637              1.843              2.153
 Vibration     9          0.651              1.799              1.899
 Vibration    10          0.654              1.790              1.852
 Vibration    11          0.663              1.763              1.730
 Vibration    12          0.665              1.755              1.700
 Vibration    13          0.691              1.679              1.432
 Vibration    14          0.705              1.638              1.317
 Vibration    15          0.724              1.583              1.184
 Vibration    16          0.756              1.497              1.010
 Vibration    17          0.772              1.454              0.936
 Vibration    18          0.782              1.428              0.894
 Vibration    19          0.789              1.410              0.866
 Vibration    20          0.812              1.352              0.784
 Vibration    21          0.908              1.134              0.539
 Vibration    22          0.938              1.072              0.484
 Vibration    23          0.964              1.020              0.440
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.724289-110       -110.140088       -253.606926
 Total V=0       0.390901D+21         20.592067         47.414986
 Vib (Bot)       0.211997-124       -124.673671       -287.071737
 Vib (Bot)    1  0.935804D+01          0.971185          2.236236
 Vib (Bot)    2  0.559922D+01          0.748127          1.722627
 Vib (Bot)    3  0.461871D+01          0.664520          1.530114
 Vib (Bot)    4  0.375706D+01          0.574848          1.323636
 Vib (Bot)    5  0.304671D+01          0.483831          1.114062
 Vib (Bot)    6  0.184032D+01          0.264894          0.609942
 Vib (Bot)    7  0.120981D+01          0.082718          0.190465
 Vib (Bot)    8  0.100846D+01          0.003657          0.008420
 Vib (Bot)    9  0.867141D+00         -0.061910         -0.142554
 Vib (Bot)   10  0.842360D+00         -0.074502         -0.171548
 Vib (Bot)   11  0.780497D+00         -0.107629         -0.247824
 Vib (Bot)   12  0.765533D+00         -0.116036         -0.267183
 Vib (Bot)   13  0.640757D+00         -0.193307         -0.445105
 Vib (Bot)   14  0.590544D+00         -0.228748         -0.526711
 Vib (Bot)   15  0.534438D+00         -0.272103         -0.626540
 Vib (Bot)   16  0.464178D+00         -0.333316         -0.767488
 Vib (Bot)   17  0.435213D+00         -0.361298         -0.831919
 Vib (Bot)   18  0.419010D+00         -0.377775         -0.869860
 Vib (Bot)   19  0.408205D+00         -0.389122         -0.895986
 Vib (Bot)   20  0.376671D+00         -0.424038         -0.976384
 Vib (Bot)   21  0.283181D+00         -0.547936         -1.261669
 Vib (Bot)   22  0.262043D+00         -0.581627         -1.339246
 Vib (Bot)   23  0.245067D+00         -0.610716         -1.406225
 Vib (V=0)       0.114415D+07          6.058484         13.950175
 Vib (V=0)    1  0.987139D+01          0.994378          2.289641
 Vib (V=0)    2  0.612150D+01          0.786858          1.811807
 Vib (V=0)    3  0.514569D+01          0.711444          1.638160
 Vib (V=0)    4  0.429018D+01          0.632476          1.456329
 Vib (V=0)    5  0.358746D+01          0.554787          1.277445
 Vib (V=0)    6  0.240704D+01          0.381483          0.878397
 Vib (V=0)    7  0.180906D+01          0.257454          0.592809
 Vib (V=0)    8  0.162560D+01          0.211015          0.485879
 Vib (V=0)    9  0.150097D+01          0.176371          0.406109
 Vib (V=0)   10  0.147958D+01          0.170137          0.391756
 Vib (V=0)   11  0.142692D+01          0.154399          0.355516
 Vib (V=0)   12  0.141435D+01          0.150558          0.346672
 Vib (V=0)   13  0.131275D+01          0.118183          0.272127
 Vib (V=0)   14  0.127378D+01          0.105096          0.241992
 Vib (V=0)   15  0.123186D+01          0.090563          0.208528
 Vib (V=0)   16  0.118225D+01          0.072708          0.167417
 Vib (V=0)   17  0.116288D+01          0.065535          0.150900
 Vib (V=0)   18  0.115236D+01          0.061587          0.141809
 Vib (V=0)   19  0.114547D+01          0.058984          0.135815
 Vib (V=0)   20  0.112600D+01          0.051540          0.118675
 Vib (V=0)   21  0.107462D+01          0.031256          0.071970
 Vib (V=0)   22  0.106451D+01          0.027148          0.062511
 Vib (V=0)   23  0.105683D+01          0.024004          0.055272
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.293707D+07          6.467915         14.892925
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           8665555444444443333333222221111100009999988888887766655444433322222111     
     2        97653009887542210                           051510099986210776544194321985318640776539755320526308552108419553296165432
     8        47591740448657094                           988214286060384739361989713473929052421667371433373561348977697403787185572
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX   XXXXXXXXXXXXXXXXXX XXXXXXX   X  XXXX
     X             XXXX   XXX                             X  X                        X    X X               XXX                     
     X               XX    XX                             X                           X    X                 XX                      
     X                X                                   X                           X    X                  X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
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                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000008985    0.000000860    0.000001620
      2        6           0.000002389    0.000002016   -0.000012107
      3        6          -0.000006555   -0.000000633   -0.000000340
      4        6          -0.000003379    0.000000261    0.000004122
      5        6           0.000009691   -0.000003031    0.000000202
      6        6          -0.000008623   -0.000000901    0.000006230
      7        6          -0.000004068    0.000005765    0.000008112
      8        6           0.000004158    0.000002418   -0.000004277
      9        6          -0.000001036   -0.000007279    0.000004827
     10        6          -0.000005906   -0.000001000    0.000002659
     11        6           0.000003723    0.000002762    0.000004472
     12        6          -0.000001191    0.000008856   -0.000067306
     13        8          -0.000003477    0.000009918    0.000032308
     14        8           0.000002671   -0.000016196    0.000032381
     15        1          -0.000000145    0.000000288   -0.000000963
     16        1           0.000001719    0.000000247   -0.000000321
     17        1          -0.000002538    0.000000891    0.000000142
     18        1           0.000002154   -0.000000813   -0.000000830
     19        1           0.000001636   -0.000003298   -0.000002055
     20        1           0.000002468   -0.000001267   -0.000000118
     21        1          -0.000001488   -0.000001662    0.000001101
     22        1          -0.000000340    0.000001084   -0.000000992
     23        1           0.000000132    0.000001794   -0.000003077
     24        1           0.000001158    0.000001413    0.000000179
     25        1           0.000003162   -0.000000508   -0.000002702
     26        1           0.000000688   -0.000000749   -0.000000456
     27        1           0.000001587    0.000001090   -0.000000602
     28        1          -0.000002291    0.000000880   -0.000001536
     29        6          -0.000003898   -0.000001520    0.000002719
     30        1           0.000000031    0.000000139    0.000000675
     31        1          -0.000001302   -0.000001673   -0.000001083
     32        1          -0.000000453    0.000000258   -0.000002496
     33        1           0.000000338   -0.000000410   -0.000000488
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000067306 RMS     0.000009027
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.228662D+03 -0.253333D+01 -0.294830D+00
      2  -0.253333D+01  0.140950D+03 -0.718247D+01
      3  -0.294830D+00 -0.718247D+01  0.154086D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.205815D+01 -0.652663D+01  0.223930D+02
      2   0.100873D+02 -0.747896D+01  0.317658D+02
      3  -0.116262D+03 -0.435371D+02  0.104793D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.266277D+03  0.466812D+02  0.376035D+01
      2  -0.140507D+03 -0.248094D+02  0.207789D+02
      3  -0.125769D+03 -0.218718D+02 -0.245393D+02
      4  -0.315221D+02  0.752928D+02 -0.245947D+02
      5  -0.187531D+01 -0.264432D+02  0.627317D+02
      6  -0.135790D+02  0.134090D+02 -0.338552D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.153698D+02  0.491916D+00  0.960578D+00  0.664132D+01  0.222992D+01
      2   0.491916D+00  0.116949D+01  0.133806D+00  0.222992D+01  0.200976D+01
      3   0.960578D+00  0.133806D+00  0.192727D+01 -0.454218D-01 -0.286912D+01
                 6             7             8             9            10 
      1  -0.454218D-01 -0.124570D+02  0.531770D+00 -0.605222D+00  0.353650D+02
      2  -0.286912D+01  0.531770D+00 -0.159283D+01 -0.117653D+01  0.142526D+01
      3  -0.230792D+01 -0.605222D+00 -0.117653D+01 -0.169256D+01 -0.109116D+01
                11            12            13            14            15 
      1   0.142526D+01 -0.109116D+01 -0.784975D+00  0.487930D+01  0.109269D+01
      2   0.208003D+01 -0.706967D+00  0.487930D+01 -0.882954D+00 -0.124203D+00
      3  -0.706967D+00  0.303611D+01  0.109269D+01 -0.124203D+00 -0.659370D+00
                16            17            18            19            20 
      1  -0.316215D+01  0.103506D+01  0.158344D+01  0.121744D+02 -0.538627D+00
      2   0.103506D+01  0.566575D+00 -0.865855D+00 -0.538627D+00 -0.128494D+01
      3   0.158344D+01 -0.865855D+00 -0.807585D+00 -0.908108D+00 -0.338771D+00
                21            22            23            24            25 
      1  -0.908108D+00  0.571395D+01 -0.169186D+01 -0.107063D+01 -0.154083D+02
      2  -0.338771D+00 -0.169186D+01  0.253704D+01 -0.231091D+01  0.772428D-01
      3  -0.346015D+01 -0.107063D+01 -0.231091D+01 -0.144360D+01  0.960094D+00
                26            27            28            29            30 
      1   0.772428D-01  0.960094D+00 -0.342846D+02  0.683668D+00  0.907264D+00
      2  -0.995937D+00 -0.993958D+00  0.683668D+00 -0.205227D+01  0.213659D+00
      3  -0.993958D+00 -0.159845D+01  0.907264D+00  0.213659D+00 -0.290069D+01
                31            32            33            34            35 
      1   0.243938D+01 -0.517368D+01 -0.155232D+01  0.284787D+01 -0.123507D+01
      2  -0.517368D+01  0.551408D+00  0.378506D+00 -0.123507D+01 -0.264819D+00
      3  -0.155232D+01  0.378506D+00  0.736214D-02 -0.955627D+00 -0.865671D+00
                36            37            38            39            40 
      1  -0.955627D+00  0.163021D+02 -0.573156D+00 -0.124958D+01 -0.396582D+01
      2  -0.865671D+00 -0.573156D+00 -0.260244D+01  0.149435D+01 -0.179828D+01
      3   0.541185D+00 -0.124958D+01  0.149435D+01 -0.225729D+01 -0.516781D+00
                41            42            43            44            45 
      1  -0.179828D+01 -0.516781D+00  0.136788D+02 -0.212983D+01  0.369276D+00
      2  -0.286301D+01  0.258150D+01 -0.212983D+01  0.155392D+01  0.140955D+01
      3   0.258150D+01  0.196384D+01  0.369276D+00  0.140955D+01  0.166400D+01
                46            47            48            49            50 
      1  -0.118556D+02  0.464846D+00  0.869789D+00 -0.353746D+01  0.107806D+01
      2   0.464846D+00  0.232984D+01 -0.989839D+00  0.107806D+01 -0.354191D+01
      3   0.869789D+00 -0.989839D+00  0.330060D+01  0.155793D+01  0.225043D+01
                51            52            53            54            55 
      1   0.155793D+01  0.149049D+02  0.154142D+01 -0.135704D+01 -0.189023D+02
      2   0.225043D+01  0.154142D+01 -0.389183D-01  0.157016D+01 -0.207516D+01
      3   0.114959D+01 -0.135704D+01  0.157016D+01  0.938890D+00 -0.241113D+00
                56            57            58            59            60 
      1  -0.207516D+01 -0.241113D+00 -0.718210D+01 -0.794294D+01 -0.542403D+00
      2  -0.374990D+01 -0.139136D+00 -0.794294D+01  0.254663D+01 -0.180152D+01
      3  -0.139136D+00 -0.148685D+01 -0.542403D+00 -0.180152D+01 -0.146150D-01
                61            62            63            64            65 
      1  -0.721881D+01 -0.141913D+01 -0.330250D+01 -0.540136D+00  0.309430D+01
      2  -0.141913D+01 -0.341567D+01  0.731845D+00  0.309430D+01  0.425295D+01
      3  -0.330250D+01  0.731845D+00  0.547591D+01 -0.252124D+00  0.394691D+00
                66            67            68            69            70 
      1  -0.252124D+00  0.132740D+02  0.733070D+01  0.853180D+00  0.700768D+01
      2   0.394691D+00  0.733070D+01 -0.180700D+01  0.240766D+01  0.147720D+01
      3   0.269999D+01  0.853180D+00  0.240766D+01  0.522867D+00  0.419835D+01
                71            72            73            74            75 
      1   0.147720D+01  0.419835D+01  0.628724D+01 -0.272807D+01 -0.992001D+00
      2   0.352379D+01  0.577166D+00 -0.272807D+01 -0.372128D+01 -0.708102D+00
      3   0.577166D+00 -0.766020D+01 -0.992001D+00 -0.708102D+00 -0.201484D+01
                76            77            78            79            80 
      1  -0.383157D+01 -0.426757D+01 -0.946193D+00 -0.243141D+01 -0.962153D+00
      2  -0.426757D+01 -0.321994D+00 -0.309094D+01 -0.962153D+00 -0.438319D+01
      3  -0.946193D+00 -0.309094D+01 -0.984751D+00 -0.284678D+01 -0.203237D+01
                81            82            83            84            85 
      1  -0.284678D+01  0.607070D+01 -0.173916D+01 -0.412660D+00 -0.441535D+01
      2  -0.203237D+01 -0.173916D+01 -0.359771D+01 -0.563103D+00 -0.618982D+01
      3   0.555230D+01 -0.412660D+00 -0.563103D+00 -0.291922D+01 -0.926653D+00
                86            87            88            89            90 
      1  -0.618982D+01 -0.926653D+00 -0.222908D+01 -0.994097D+00 -0.492616D+01
      2   0.213683D+01 -0.401906D+01 -0.994097D+00 -0.414059D+01 -0.238147D+00
      3  -0.401906D+01 -0.419268D+00 -0.492616D+01 -0.238147D+00  0.458066D+01
                91            92            93            94            95 
      1   0.841870D+01  0.158729D+01  0.210859D+01 -0.450142D+01  0.693214D+01
      2   0.158729D+01  0.236957D+01  0.452432D+00  0.693214D+01 -0.439816D+01
      3   0.210859D+01  0.452432D+00  0.169574D+01  0.170273D+01  0.760676D+00
                96            97            98            99           100 
      1   0.170273D+01  0.361512D+01  0.244566D+01  0.267589D+01  0.838143D+00
      2   0.760676D+00  0.244566D+01  0.806269D+00  0.289407D+01 -0.128016D+01
      3   0.236656D+01  0.267589D+01  0.289407D+01 -0.308971D+01 -0.171649D+01
               101           102           103           104           105 
      1  -0.128016D+01 -0.171649D+01 -0.705354D+00 -0.125837D+01  0.155295D+01
      2  -0.331674D+00  0.912652D+00 -0.125837D+01  0.410945D+01 -0.183856D+01
      3   0.912652D+00  0.603450D+00  0.155295D+01 -0.183856D+01 -0.295178D+01
               106           107           108           109           110 
      1  -0.538877D+01  0.243306D+01  0.148791D+01 -0.294220D+01  0.196403D+01
      2   0.243306D+01 -0.471226D+01 -0.366839D+01  0.196403D+01 -0.876084D+00
      3   0.148791D+01 -0.366839D+01 -0.216480D+01  0.345258D+01 -0.843954D+00
               111           112           113           114           115 
      1   0.345258D+01  0.413366D+01 -0.315040D+01 -0.200666D+01  0.851889D+01
      2  -0.843954D+00 -0.315040D+01  0.436134D+01  0.390789D+01 -0.369197D+01
      3  -0.148954D+01 -0.200666D+01  0.390789D+01  0.335871D+01 -0.370881D+01
               116           117           118           119           120 
      1  -0.369197D+01 -0.370881D+01  0.586714D-01 -0.365795D+00 -0.137435D+01
      2   0.519990D+01  0.426220D+01 -0.365795D+00  0.211665D+01 -0.277958D+00
      3   0.426220D+01  0.890835D+01 -0.137435D+01 -0.277958D+00 -0.107471D+00
               121           122           123           124           125 
      1  -0.994323D+00  0.339638D+01 -0.694612D+00 -0.458631D+01  0.858997D+00
      2   0.339638D+01 -0.752978D+01  0.831957D-01  0.858997D+00 -0.924453D+00
      3  -0.694612D+00  0.831957D-01 -0.204142D+00 -0.110341D+01  0.150353D+01
               126           127           128           129           130 
      1  -0.110341D+01  0.203159D+01  0.642298D+00 -0.209206D+01  0.113410D+00
      2   0.150353D+01  0.642298D+00  0.251389D+00 -0.437304D+00  0.167153D+00
      3  -0.402063D+01 -0.209206D+01 -0.437304D+00  0.220138D+01 -0.704027D+00
               131           132           133           134           135 
      1   0.167153D+00 -0.704027D+00 -0.240694D+01 -0.870909D+00  0.282513D+01
      2   0.328724D+00 -0.592355D+00 -0.870909D+00 -0.110438D+01  0.166336D+01
      3  -0.592355D+00  0.221114D+01  0.282513D+01  0.166336D+01 -0.726720D+01
               136           137           138           139           140 
      1  -0.364321D+01  0.898516D+00 -0.210045D+01  0.151313D+01 -0.613215D+00
      2   0.898516D+00 -0.587137D+00  0.603136D+00 -0.613215D+00  0.582314D+00
      3  -0.210045D+01  0.603136D+00 -0.185078D+01  0.116024D+01 -0.584761D+00
               141           142           143           144           145 
      1   0.116024D+01 -0.253110D+01  0.886064D+00 -0.274416D+01 -0.204770D+01
      2  -0.584761D+00  0.886064D+00 -0.107469D+01  0.142750D+01 -0.719497D+00
      3   0.185587D+01 -0.274416D+01  0.142750D+01 -0.481639D+01  0.208155D+01
               146           147           148           149           150 
      1  -0.719497D+00  0.208155D+01 -0.495786D+00 -0.194862D+00  0.769428D+00
      2  -0.342733D+00  0.707687D+00 -0.194862D+00 -0.524754D+00  0.817904D+00
      3   0.707687D+00 -0.219818D+01  0.769428D+00  0.817904D+00 -0.230743D+01
               151           152           153           154           155 
      1   0.204427D+01  0.104609D+01 -0.274297D+01  0.363096D+01 -0.110351D+01
      2   0.104609D+01  0.160620D+01 -0.243976D+01 -0.110351D+01  0.827581D+00
      3  -0.274297D+01 -0.243976D+01  0.731581D+01  0.259335D+01 -0.112722D+01
               156           157           158           159           160 
      1   0.259335D+01 -0.192915D+01  0.722052D+00 -0.131990D+01  0.271609D+01
      2  -0.112722D+01  0.722052D+00 -0.801994D+00  0.883557D+00 -0.127644D+01
      3   0.236194D+01 -0.131990D+01  0.883557D+00 -0.207947D+01  0.308286D+01
               161           162           163           164           165 
      1  -0.127644D+01  0.308286D+01  0.124630D+01 -0.710983D-01 -0.154055D+01
      2   0.158369D+01 -0.217464D+01 -0.710983D-01  0.738671D+00  0.327541D+00
      3  -0.217464D+01  0.527679D+01 -0.154055D+01  0.327541D+00  0.141333D+01
               166           167           168           169           170 
      1   0.188842D+01  0.120551D+01 -0.711216D-01 -0.387026D+01  0.165456D+00
      2   0.120551D+01 -0.421152D+00 -0.694565D+00  0.165456D+00 -0.113539D+01
      3  -0.711216D-01 -0.694565D+00  0.128800D+00  0.253950D+01 -0.127436D+01
               171           172           173           174           175 
      1   0.253950D+01  0.465839D+01 -0.194193D+01  0.663707D+00 -0.449534D+01
      2  -0.127436D+01 -0.194193D+01  0.243962D+01 -0.812447D-01  0.372587D+01
      3  -0.622838D+01  0.663707D+00 -0.812447D-01  0.356247D+00 -0.259077D+00
               176           177           178           179           180 
      1   0.372587D+01 -0.259077D+00  0.569731D+01 -0.522877D+00  0.112514D+01
      2  -0.668310D+01  0.913850D+00 -0.522877D+00  0.223662D+01 -0.112442D+01
      3   0.913850D+00 -0.748730D+00  0.112514D+01 -0.112442D+01  0.341032D+00
               181           182           183           184           185 
      1  -0.790723D+00 -0.802101D+00  0.123804D+01 -0.177610D+01 -0.870696D+00
      2  -0.802101D+00 -0.884502D+00 -0.587883D-01 -0.870696D+00  0.200641D+00
      3   0.123804D+01 -0.587883D-01 -0.106251D+01  0.932311D-01  0.628749D+00
               186           187           188           189           190 
      1   0.932311D-01  0.221365D+01  0.154558D+00 -0.749419D+00 -0.893957D+01
      2   0.628749D+00  0.154558D+00  0.105584D+01  0.685419D-02  0.654580D+00
      3   0.207554D-01 -0.749419D+00  0.685419D-02  0.739469D+01  0.375988D+00
               191           192           193           194           195 
      1   0.654580D+00  0.375988D+00  0.172248D+00 -0.128344D+01  0.787029D-01
      2  -0.237031D+01  0.102311D+00 -0.128344D+01  0.752665D+00  0.332162D+00
      3   0.102311D+00 -0.627844D+00  0.787029D-01  0.332162D+00  0.404121D+00
               196           197           198           199           200 
      1   0.434974D+00 -0.157840D+00 -0.283746D+00  0.392747D+00  0.656634D+00
      2  -0.157840D+00  0.576321D+00  0.599550D+00  0.656634D+00  0.934970D+00
      3  -0.283746D+00  0.599550D+00 -0.334401D+00 -0.105568D+01 -0.313904D+00
               201           202           203           204           205 
      1  -0.105568D+01  0.277918D+00  0.572525D+00 -0.625795D-01 -0.174705D+01
      2  -0.313904D+00  0.572525D+00  0.824060D+00 -0.671794D+00 -0.563106D+00
      3   0.144946D+01 -0.625795D-01 -0.671794D+00  0.475225D+00  0.155916D+01
               206           207           208           209           210 
      1  -0.563106D+00  0.155916D+01  0.241051D+01  0.273887D+01  0.900290D+00
      2  -0.194361D+01  0.195170D+01  0.273887D+01  0.349427D+01  0.738537D+00
      3   0.195170D+01 -0.678307D+01  0.900290D+00  0.738537D+00  0.945185D+00
               211           212           213           214           215 
      1   0.227721D+01  0.345218D+01  0.885317D+00  0.193446D+01  0.161849D+01
      2   0.345218D+01  0.709584D+01  0.198130D+01  0.161849D+01  0.362215D+01
      3   0.885317D+00  0.198130D+01  0.133895D+01  0.127874D+01  0.192938D+01
               216           217           218           219           220 
      1   0.127874D+01  0.211234D+01  0.102568D+00 -0.155948D+01  0.389716D+00
      2   0.192938D+01  0.102568D+00  0.617496D+00  0.676979D-01  0.123510D+01
      3   0.109247D+01 -0.155948D+01  0.676979D-01  0.170160D+01  0.502805D-02
               221           222           223           224           225 
      1   0.123510D+01  0.502805D-02 -0.459523D+01  0.117305D+00  0.349969D+01
      2  -0.171843D+00 -0.428505D+00  0.117305D+00 -0.910369D+00 -0.544820D-01
      3  -0.428505D+00  0.974666D-01  0.349969D+01 -0.544820D-01 -0.609125D+01
               226           227           228           229           230 
      1   0.191410D+01 -0.171438D+01  0.872560D+00 -0.410104D+01  0.350261D+01
      2  -0.171438D+01  0.176313D+01 -0.550313D+00  0.350261D+01 -0.583459D+01
      3   0.872560D+00 -0.550313D+00  0.869571D+00 -0.114651D+01  0.209298D+01
               231           232           233           234           235 
      1  -0.114651D+01  0.202301D+01 -0.100770D+01  0.176322D+01  0.474451D+01
      2   0.209298D+01 -0.100770D+01  0.229077D+01 -0.138953D+01  0.251049D+01
      3  -0.160023D+01  0.176322D+01 -0.138953D+01  0.120962D+01  0.175156D+01
               236           237           238           239           240 
      1   0.251049D+01  0.175156D+01  0.616346D+01  0.385729D+01  0.176120D+01
      2   0.199149D+01  0.956264D+00  0.385729D+01  0.364881D+01  0.193341D+01
      3   0.956264D+00  0.135201D+01  0.176120D+01  0.193341D+01  0.166888D+01
               241           242           243           244           245 
      1   0.391379D+01  0.161715D+01  0.262106D+01  0.776976D-01 -0.821207D+00
      2   0.161715D+01  0.209555D+01  0.141965D+01 -0.821207D+00 -0.685892D+00
      3   0.262106D+01  0.141965D+01  0.166942D+01  0.121590D+01  0.246119D+00
               246           247           248           249           250 
      1   0.121590D+01 -0.124011D+01 -0.120992D+01  0.414315D+00  0.268205D+01
      2   0.246119D+00 -0.120992D+01 -0.978288D+00  0.114743D+01  0.449457D+00
      3  -0.113206D+01  0.414315D+00  0.114743D+01 -0.164626D+01 -0.185591D+01
               251           252           253           254           255 
      1   0.449457D+00 -0.185591D+01  0.858671D+01 -0.789109D+00 -0.205016D+01
      2   0.153859D+01 -0.143267D+01 -0.789109D+00 -0.358976D+01 -0.120344D+01
      3  -0.143267D+01  0.523164D+01 -0.205016D+01 -0.120344D+01 -0.173670D+01
               256           257           258           259           260 
      1  -0.455394D+01 -0.318351D+01 -0.157140D+01 -0.752567D+01 -0.191316D+01
      2  -0.318351D+01  0.535136D+01 -0.339402D+00 -0.191316D+01 -0.197162D+01
      3  -0.157140D+01 -0.339402D+00 -0.258057D+01 -0.232588D+01 -0.259266D+01
               261           262           263           264           265 
      1  -0.232588D+01 -0.140682D+01  0.177091D+01 -0.746064D+00  0.292609D+01
      2  -0.259266D+01  0.177091D+01 -0.201390D+01  0.539860D+00 -0.413119D+01
      3   0.262399D+01 -0.746064D+00  0.539860D+00 -0.538989D+00  0.108451D+01
               266           267           268           269           270 
      1  -0.413119D+01  0.108451D+01 -0.467768D-01 -0.269546D+00 -0.414223D+00
      2   0.967469D+01 -0.209268D+01 -0.269546D+00  0.425870D+00  0.716626D+00
      3  -0.209268D+01  0.175561D+01 -0.414223D+00  0.716626D+00 -0.825306D+00
               271           272           273           274           275 
      1  -0.468478D+00  0.384825D+00 -0.456140D+00  0.140230D+01  0.280780D+00
      2   0.384825D+00  0.501220D+00  0.222568D+00  0.280780D+00  0.269858D+00
      3  -0.456140D+00  0.222568D+00  0.423927D+00  0.383416D+00 -0.634589D+00
               276           277           278           279           280 
      1   0.383416D+00 -0.181690D+01 -0.231802D+00 -0.681490D+00 -0.161067D+02
      2  -0.634589D+00 -0.231802D+00 -0.120603D+01  0.363157D+00 -0.200896D+01
      3   0.135520D+01 -0.681490D+00  0.363157D+00 -0.607994D+01 -0.382063D+00
               281           282           283           284           285 
      1  -0.200896D+01 -0.382063D+00  0.821317D+00 -0.117349D+01  0.162772D+00
      2  -0.133826D+01 -0.196744D+00 -0.117349D+01 -0.658295D+00  0.736559D-01
      3  -0.196744D+00 -0.102200D+01  0.162772D+00  0.736559D-01  0.328645D+00
               286           287           288           289           290 
      1   0.223054D+01  0.493289D+00 -0.105647D+01 -0.228520D-01 -0.799081D+00
      2   0.493289D+00  0.545176D+00  0.741340D-01 -0.799081D+00  0.215045D+01
      3  -0.105647D+01  0.741340D-01  0.399426D-01  0.228475D+00  0.423484D+00
               291           292           293           294           295 
      1   0.228475D+00 -0.163768D+01 -0.434342D+00 -0.121351D+00  0.958397D+00
      2   0.423484D+00 -0.434342D+00 -0.956259D+01 -0.108190D+01  0.297364D+00
      3   0.467287D+00 -0.121351D+00 -0.108190D+01 -0.106145D+01  0.903396D-01
               296           297 
      1   0.297364D+00  0.903396D-01
      2   0.587517D+00 -0.776975D+00
      3  -0.776975D+00 -0.396842D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.311420D+00 -0.250577D+01  0.825939D+00 -0.719603D+01 -0.261615D+01
      2   0.508619D+01 -0.264877D+01  0.943511D+01 -0.313377D+01  0.180954D+01
      3   0.227879D+02 -0.309271D+01  0.325530D+01  0.722507D+01 -0.154796D+01
                 6             7             8             9            10 
      1  -0.216920D+01 -0.244890D+01  0.231998D+01 -0.197393D+00  0.294157D+00
      2  -0.332789D+01 -0.409974D+01 -0.138806D+01  0.269462D+01  0.103398D+01
      3   0.207416D+01  0.173567D+02  0.297854D+00  0.335068D+01 -0.370082D+02
                11            12            13            14            15 
      1   0.963775D-01  0.224755D+01  0.190887D+01  0.461537D+01 -0.901272D+01
      2   0.761114D+00 -0.436150D+01  0.554338D+01  0.330464D+00  0.449219D+00
      3  -0.656230D+00  0.905682D+00  0.123881D+02 -0.198052D+01 -0.222411D+00
                16            17            18            19            20 
      1  -0.272654D+01 -0.236883D+01 -0.452889D+01  0.824634D+00  0.186632D+01
      2  -0.283361D+02 -0.185829D+01 -0.295947D+01 -0.676162D+01 -0.112578D+01
      3  -0.248877D+01 -0.692895D+00 -0.291689D+01 -0.168032D+02 -0.228423D+00
                21            22            23            24            25 
      1  -0.163238D+01  0.560769D+01 -0.199418D+01 -0.331882D+01  0.421887D+01
      2   0.348828D+01 -0.464649D+01 -0.212524D+01  0.123002D+01  0.554990D+00
      3   0.268626D+01  0.532955D+01  0.189693D+01 -0.270540D+01  0.223260D+02
                26            27            28            29            30 
      1   0.185515D+01 -0.166992D+01 -0.940909D+00  0.180620D+01 -0.228881D+01
      2   0.136548D+00 -0.147322D+01  0.476548D+01  0.111393D+01 -0.362461D+01
      3  -0.255661D+01 -0.509884D+01  0.389841D+02 -0.165450D+01 -0.257228D+01
                31            32            33            34            35 
      1  -0.403163D+00  0.402573D+01 -0.985675D+01 -0.512635D+01 -0.159773D+01
      2   0.543628D+01 -0.188780D+00  0.209758D+01 -0.304578D+02  0.485511D+01
      3   0.967011D+01  0.530497D+01  0.989988D+00 -0.825877D+01 -0.118799D+01
                36            37            38            39            40 
      1  -0.318305D+01 -0.114026D+01 -0.134738D+01 -0.221746D+01 -0.591665D+01
      2   0.259599D+00  0.313636D+01 -0.296770D+01  0.819644D+01 -0.339690D+01
      3   0.184345D+01 -0.183235D+02 -0.613033D+00  0.344099D+01  0.148392D+02
                41            42            43            44            45 
      1   0.149696D+01  0.785195D+00 -0.780647D+00  0.361378D+01  0.216835D+01
      2   0.188794D+01 -0.153802D+01 -0.651733D+01 -0.123384D+01  0.166381D+01
      3  -0.837518D+00  0.289825D+01 -0.141714D+02  0.466223D+01  0.216660D+01
                46            47            48            49            50 
      1   0.117041D+00  0.148179D+01  0.352347D+01  0.861832D+01  0.147243D+01
      2  -0.421744D+01 -0.212643D+01  0.409989D+01 -0.445938D+01 -0.186960D+01
      3   0.161318D+02 -0.178490D+01 -0.154865D+01  0.152807D+02  0.134449D+01
                51            52            53            54            55 
      1  -0.247153D+01  0.292735D+01  0.391071D+01  0.678899D+00 -0.239303D+01
      2   0.891081D+00 -0.574489D+00  0.158747D+01 -0.217947D+01 -0.420302D+01
      3  -0.427863D+01 -0.130717D+02 -0.219000D+01 -0.605976D+00  0.199202D+02
                56            57            58            59            60 
      1  -0.215516D+00 -0.597663D+00 -0.642305D+00 -0.586461D+01 -0.757356D+00
      2   0.423896D+00 -0.936836D+00 -0.165759D+01 -0.114903D+02  0.174941D+01
      3   0.111056D+02  0.374481D+00  0.396833D+02  0.112363D+00  0.678358D+01
                61            62            63            64            65 
      1   0.716762D-01  0.416699D+01  0.447532D+01  0.269301D+01  0.114496D+01
      2  -0.227839D+02  0.856915D+00  0.215418D+02  0.396551D+01  0.156634D+01
      3   0.118517D+02  0.126447D+02  0.164551D+01 -0.220964D+02 -0.214614D+02
                66            67            68            69            70 
      1  -0.182299D+01 -0.117631D+00 -0.176093D+01 -0.190882D+01  0.409296D+00
      2   0.138042D+02  0.546084D+01  0.119503D+02 -0.231563D+00  0.144275D+02
      3  -0.190791D+01 -0.314479D+02  0.639603D+01 -0.101322D+02 -0.127611D+02
                71            72            73            74            75 
      1   0.467314D+01  0.478833D+01  0.159537D+01  0.228604D+01  0.511745D+01
      2   0.326573D+01 -0.355992D+02 -0.152794D+00 -0.427220D+01 -0.529085D+01
      3  -0.150247D+02 -0.245885D+01  0.280711D+02  0.423431D+01  0.115526D+01
                76            77            78            79            80 
      1   0.334557D+01  0.992988D+01  0.171423D+01  0.718868D+01  0.851554D+01
      2  -0.550114D+01 -0.115704D+02 -0.354005D+01 -0.122696D+02 -0.699392D+01
      3   0.113477D+02 -0.694552D+01  0.922131D+01  0.184710D+01  0.131802D+02
                81            82            83            84            85 
      1  -0.121524D+02 -0.344128D+00 -0.492364D+00  0.310562D+00 -0.438012D+00
      2   0.189472D+02 -0.555083D+01 -0.241685D+01 -0.156203D+02 -0.412287D+01
      3   0.315834D+01  0.880624D+01  0.192806D+02  0.306163D+01  0.407348D+02
                86            87            88            89            90 
      1   0.143192D+01 -0.244316D+01  0.891767D+00  0.646570D+00 -0.133492D+01
      2  -0.224082D+02 -0.459079D+00 -0.325188D+02 -0.109071D+01  0.270615D+02
      3  -0.134170D+02  0.234839D+02  0.525084D+01  0.234616D+02  0.142160D+01
                91            92            93            94            95 
      1   0.191283D+01 -0.110773D+01  0.172663D+01  0.111307D+01 -0.204307D+01
      2  -0.133719D+02  0.296331D+00 -0.216564D+01 -0.694291D+00 -0.533685D+01
      3  -0.897973D+01  0.263175D+01 -0.655071D+00  0.402968D+02 -0.206897D+02
                96            97            98            99           100 
      1  -0.174724D+01  0.130348D+01  0.596139D+01  0.589085D-03  0.154579D+01
      2  -0.106461D+02 -0.184989D+02 -0.104744D+02  0.112081D+02  0.561600D+01
      3  -0.954876D+00  0.284254D+01 -0.801287D+00  0.730821D+01  0.174869D+02
               101           102           103           104           105 
      1   0.184050D+01 -0.424739D+01  0.358639D+00 -0.112525D+01  0.210826D+01
      2  -0.421690D+01  0.728693D+01 -0.224938D+01  0.587992D+01  0.184913D+02
      3  -0.172932D+02  0.223214D+01 -0.703752D+01  0.447556D+01 -0.447522D+01
               106           107           108           109           110 
      1  -0.336230D+01 -0.277396D+01  0.446614D+01 -0.364790D+01 -0.244070D+01
      2  -0.274669D+01  0.144542D+02  0.937460D+01 -0.853729D+01  0.226365D+01
      3   0.150641D+02 -0.165761D+02 -0.112722D+02 -0.821972D+00 -0.625229D+00
               111           112           113           114           115 
      1   0.237720D+01 -0.206653D+01  0.426164D+01 -0.681035D+01  0.667328D+00
      2   0.494632D+01 -0.157913D+01 -0.108546D+02 -0.145217D+02  0.319315D+01
      3  -0.449447D+00 -0.742158D+01  0.191837D+02  0.128767D+02 -0.168732D+02
               116           117           118           119           120 
      1   0.740304D+01 -0.994270D+01  0.303615D+01  0.292147D-01  0.325158D+00
      2  -0.129649D+02 -0.318282D+02  0.413424D+01  0.822429D+00  0.192424D+01
      3   0.199045D+02  0.133212D+02 -0.463902D+01  0.598539D+01 -0.303140D+01
               121           122           123           124           125 
      1   0.320155D+00  0.324735D+01 -0.105003D+01 -0.154360D+01  0.682479D+01
      2   0.307998D+01  0.145801D+01 -0.664599D+00 -0.484481D+00 -0.449044D+01
      3   0.982717D+01 -0.223534D+02 -0.740380D+00  0.302969D+01 -0.430544D+01
               126           127           128           129           130 
      1   0.733048D+01 -0.200601D+01 -0.203801D+01  0.112113D+01 -0.243275D+00
      2   0.154725D+02  0.463999D+01  0.907535D+00 -0.972856D+00  0.362058D+00
      3   0.573556D+01 -0.266516D+00 -0.114188D+01  0.994702D+00  0.123130D+01
               131           132           133           134           135 
      1  -0.128082D+01 -0.193188D+00  0.290982D+01  0.528170D+01 -0.499930D+01
      2  -0.338528D-01  0.493748D+00 -0.479914D+01 -0.298954D+00 -0.180664D+01
      3  -0.587801D+00  0.499577D+00  0.121393D+01  0.224128D+01 -0.183745D+01
               136           137           138           139           140 
      1  -0.213019D+01  0.284505D+01 -0.798178D+00  0.129414D+01 -0.134528D+01
      2  -0.795458D+01  0.129778D+01 -0.138713D+01  0.177559D+01 -0.541465D+00
      3   0.670308D-01 -0.138453D+01  0.637632D+00  0.551491D+00  0.135653D+01
               141           142           143           144           145 
      1  -0.670897D+00 -0.196993D+01  0.409564D+01 -0.291158D+01  0.189713D+01
      2   0.131754D+00 -0.462517D+01  0.424042D+00  0.772658D+00  0.441947D+01
      3  -0.181033D+00  0.548997D+00 -0.234841D+01  0.154344D+01  0.266388D+01
               146           147           148           149           150 
      1  -0.876360D+00 -0.224330D+01  0.108836D+01  0.114861D+00 -0.357541D+01
      2   0.483770D+00 -0.892299D+00  0.717838D+00 -0.159184D+00  0.620450D+00
      3  -0.316421D-01 -0.195814D+01  0.167571D+01 -0.304781D+00 -0.598878D+00
               151           152           153           154           155 
      1  -0.186418D+01  0.217555D+01  0.578088D+01  0.268102D+01  0.120320D+01
      2  -0.423537D+01 -0.365798D+00 -0.105858D+01 -0.544511D+01  0.184263D+00
      3  -0.240661D+01  0.107802D+01  0.176151D+01 -0.498286D+01 -0.851974D+00
               156           157           158           159           160 
      1   0.233575D+01 -0.154550D+01  0.211203D+00 -0.373419D+01  0.255609D+01
      2  -0.194239D+00  0.102268D+01  0.191996D+00 -0.911666D+00 -0.299290D+01
      3  -0.232161D+01  0.415995D+01  0.614733D+00  0.730944D+00 -0.307004D+01
               161           162           163           164           165 
      1   0.145371D+01  0.435450D+01 -0.128483D+01 -0.652746D+00  0.114363D+01
      2  -0.220640D+00  0.218402D+01 -0.541855D+01  0.743208D+00  0.587885D+01
      3  -0.126909D+01 -0.200569D+01 -0.175740D+01 -0.365846D+01  0.555864D+00
               166           167           168           169           170 
      1   0.223092D+00 -0.301252D+00 -0.100335D+01  0.221119D+01  0.220125D+01
      2   0.531149D+00 -0.112724D+01  0.813980D+00  0.268879D+01 -0.422556D+01
      3  -0.348255D+01  0.282416D+00  0.169141D+01  0.320172D+01  0.410450D+01
               171           172           173           174           175 
      1  -0.628258D+01  0.935519D+00 -0.102341D+01  0.141322D+01 -0.163760D+01
      2  -0.207374D+02  0.518481D+01 -0.158950D+01  0.331480D+01 -0.302217D+01
      3   0.389671D+00  0.105768D+01 -0.770046D+01 -0.194128D+00 -0.466559D+01
               176           177           178           179           180 
      1   0.343060D+01 -0.346582D+01  0.170757D+01 -0.126019D+01  0.126487D+01
      2   0.611345D+01 -0.370869D+01  0.387545D+01 -0.437885D+01  0.966260D+00
      3   0.180604D+02 -0.216813D+01 -0.394295D+01 -0.730041D+01  0.199961D+01
               181           182           183           184           185 
      1  -0.271838D+01 -0.166300D+01  0.913581D+00 -0.117058D+01 -0.334569D+00
      2   0.800594D+01  0.810831D+00 -0.486010D+01  0.219192D+01  0.335300D+01
      3   0.263166D+01  0.271889D+01  0.401238D+00  0.546250D+01 -0.804909D+00
               186           187           188           189           190 
      1  -0.702915D+00  0.159086D+01  0.353314D+01 -0.424071D+01  0.770077D+00
      2  -0.505752D+00 -0.905604D+01 -0.862296D+00  0.305230D+02 -0.213784D+01
      3  -0.242090D+01  0.210631D+00 -0.361006D+01 -0.493686D+00 -0.271814D+02
               191           192           193           194           195 
      1   0.604752D+00  0.223384D+01  0.461230D-01 -0.793720D+00 -0.111775D+01
      2   0.500675D+00 -0.132919D+00  0.340617D+00  0.793180D+00  0.201262D+00
      3   0.639298D+01  0.442676D+00  0.630160D+01 -0.382871D+01 -0.116396D+01
               196           197           198           199           200 
      1   0.234511D+01  0.615727D+00  0.771806D+00  0.239419D+01 -0.324638D-01
      2  -0.341830D+01  0.120119D+01 -0.112976D+01 -0.340089D+01 -0.120894D+01
      3   0.761873D+00 -0.224485D+01 -0.284942D+01 -0.249048D+01 -0.338305D+01
               201           202           203           204           205 
      1  -0.317881D+01  0.242023D+00  0.113875D+01 -0.214119D+01 -0.319522D+01
      2   0.534322D+01 -0.213392D+00 -0.187950D+01  0.935680D+00  0.913795D+00
      3  -0.312486D+00 -0.448810D+00 -0.166217D+01  0.186146D+01 -0.211385D+01
               206           207           208           209           210 
      1  -0.197904D+00  0.154053D+02 -0.260457D+01 -0.226122D+01 -0.387072D+01
      2   0.619058D+01 -0.227157D+02  0.346177D+01  0.313652D+01  0.461885D+01
      3   0.697134D+01 -0.504106D+01 -0.509385D+01 -0.957656D+01 -0.793298D+00
               211           212           213           214           215 
      1  -0.358709D+01 -0.578717D+01 -0.601885D+01 -0.359481D+01 -0.356905D+01
      2   0.325805D+01  0.765835D+01  0.594358D+01  0.361557D+01  0.703069D+01
      3  -0.350479D+01 -0.197374D+02 -0.500726D+01 -0.122058D+01 -0.108198D+02
               216           217           218           219           220 
      1  -0.349087D+01  0.351518D+00 -0.428904D+00 -0.912461D-01  0.207450D+00
      2   0.417651D+01 -0.944384D+01  0.268151D+00  0.114575D+02 -0.606635D-01
      3  -0.467599D+01 -0.408971D+00 -0.449358D+01 -0.423014D+00 -0.509936D+01
               221           222           223           224           225 
      1   0.566506D-01 -0.882506D+00 -0.802347D+00  0.259762D+01  0.115319D+01
      2  -0.231972D+01  0.444093D+00  0.167230D+02 -0.237002D+00 -0.361909D+02
      3   0.101462D+01  0.193428D+01 -0.922709D+00  0.610793D+01  0.504242D-01
               226           227           228           229           230 
      1  -0.858193D+00  0.863723D+00  0.415032D+00  0.104709D+01 -0.291702D+01
      2   0.428885D+01 -0.257223D+01  0.545092D+01 -0.432587D+01  0.110893D+02
      3   0.931536D+01 -0.111621D+02  0.318848D+01 -0.156913D+02  0.334147D+02
               231           232           233           234           235 
      1  -0.153055D+01 -0.402272D+00  0.207957D+01  0.124289D+00  0.405285D+00
      2  -0.996117D+01  0.735228D+01 -0.746581D+01  0.616513D+01  0.791535D+01
      3  -0.116958D+02  0.495184D+01 -0.134200D+02  0.735282D+01 -0.122689D+02
               236           237           238           239           240 
      1   0.930114D+00 -0.943623D+00  0.434222D+00  0.138642D+01 -0.161578D+01
      2   0.444927D+01  0.930656D+01  0.727513D+01  0.985895D+01  0.101802D+02
      3  -0.132289D+02 -0.516748D+01 -0.180748D+02 -0.212325D+02 -0.107266D+02
               241           242           243           244           245 
      1  -0.653640D+00  0.161032D+01 -0.727122D+00  0.729994D-01 -0.459653D+00
      2   0.118333D+02  0.741529D+01  0.879593D+01 -0.520298D+01 -0.589083D+00
      3  -0.771141D+01 -0.126687D+02 -0.754048D+01 -0.316552D+01 -0.240123D+01
               246           247           248           249           250 
      1  -0.660893D+00 -0.168991D+00  0.284859D+00 -0.183310D+01 -0.495529D+00
      2   0.397930D+01 -0.201335D+00 -0.294064D+01  0.572888D+01  0.119641D+01
      3   0.168663D+00 -0.113339D+01 -0.229972D+01  0.309883D+01 -0.726996D+00
               251           252           253           254           255 
      1   0.222329D+01  0.261425D+01 -0.200210D+01  0.793327D+00 -0.251665D+01
      2   0.463399D+01 -0.168458D+02  0.199500D+02  0.554786D+01  0.906796D+01
      3   0.463366D+01 -0.355472D+01 -0.166000D+02 -0.141898D+02 -0.123045D+01
               256           257           258           259           260 
      1  -0.153620D+01 -0.628748D+01 -0.619561D+01 -0.140821D+01 -0.140589D+01
      2   0.532787D+01 -0.478432D+00  0.910485D+01  0.676953D+01  0.101612D+02
      3  -0.491282D+01  0.256896D+02  0.151924D+01  0.997521D+00 -0.246439D+01
               261           262           263           264           265 
      1   0.817519D+01  0.125584D+00  0.462093D+00  0.109401D+01  0.533978D+00
      2  -0.153055D+02  0.171097D+01 -0.119713D+01  0.191143D+01 -0.246048D+01
      3  -0.711457D+01  0.375814D+01 -0.497131D+01  0.169248D+01 -0.942294D+01
               266           267           268           269           270 
      1  -0.326118D+01 -0.386718D+01 -0.457759D+00  0.622009D+00 -0.457783D+00
      2   0.598883D+01 -0.647757D+01  0.662851D+00 -0.184404D+01  0.225793D+01
      3   0.317905D+02 -0.678793D+01 -0.738966D+00  0.170966D+01  0.225089D+01
               271           272           273           274           275 
      1  -0.186159D+01 -0.773834D+00  0.484006D+00 -0.124722D+00 -0.258938D+01
      2   0.446588D+01  0.177859D+00 -0.237168D+01  0.130269D+01  0.332695D+01
      3   0.222171D+01  0.106571D+01  0.101274D+01  0.670643D+00  0.935866D+00
               276           277           278           279           280 
      1   0.220271D+01 -0.173835D+00  0.480434D+01 -0.107080D+02  0.883864D+00
      2  -0.582921D+01 -0.242823D+01 -0.256049D+01  0.246635D+02 -0.928581D+01
      3  -0.277489D+01  0.114531D+01 -0.439324D+01  0.291380D+01  0.150613D+02
               281           282           283           284           285 
      1   0.771620D+00 -0.200727D+01  0.986098D+00  0.562904D+00  0.335480D-01
      2  -0.290127D+00  0.796341D+01 -0.946020D+00 -0.102331D+01 -0.105735D+01
      3  -0.625399D+01 -0.691181D+00 -0.449225D+01 -0.102594D+01  0.244933D+00
               286           287           288           289           290 
      1  -0.190946D+01  0.837847D+00 -0.166372D+00  0.108451D+01 -0.706222D+00
      2   0.432287D+01 -0.597022D+00 -0.310114D+00 -0.846114D+00 -0.212810D+01
      3  -0.132902D+01  0.160070D+01  0.197256D+01 -0.480938D+01  0.794927D+01
               291           292           293           294           295 
      1   0.150925D+01 -0.430815D+00  0.622886D+01 -0.379181D+01  0.648827D+00
      2  -0.162110D+01 -0.955190D+00  0.465716D+01  0.387326D+01 -0.161062D+01
      3   0.643761D+00  0.448397D+01 -0.338830D+02 -0.301519D+01 -0.792429D+00
               296           297 
      1  -0.374766D+00 -0.152211D+00
      2   0.260329D+01  0.155240D+01
      3   0.127596D+01 -0.272008D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.190683D+01 -0.804604D+01  0.213860D+02  0.194466D+02 -0.308999D+01
      2   0.644550D+01  0.354031D+01 -0.782943D+01 -0.503854D+01  0.405914D+01
      3  -0.453868D+01  0.450573D+01 -0.135566D+02 -0.144081D+02 -0.969153D+00
      4  -0.352108D+01  0.427210D+01 -0.917695D+00  0.101395D+02  0.453913D+01
      5   0.166773D+02  0.103579D+01 -0.791961D+01 -0.422246D+01 -0.258492D+01
      6   0.153135D+01 -0.383883D+01 -0.164855D+01 -0.796680D+00  0.402355D+01
                 6             7             8             9            10 
      1  -0.165047D+02 -0.275537D+02 -0.104940D+02  0.368255D+01  0.578027D+02
      2   0.132286D+01  0.399336D+01  0.174360D+01  0.502073D+01 -0.224095D+02
      3   0.151818D+02  0.235603D+02  0.875044D+01 -0.870328D+01 -0.353932D+02
      4  -0.384140D+01  0.296470D+01 -0.258510D+01 -0.531366D+01 -0.120721D+02
      5  -0.388967D+01  0.749788D+01 -0.448159D+01  0.665684D+01 -0.272638D+01
      6   0.127558D+02 -0.620975D+01  0.658282D+01  0.145245D+02  0.522353D+00
                11            12            13            14            15 
      1   0.829276D+01 -0.523212D-01  0.109552D+02 -0.745104D+00  0.531432D+01
      2  -0.729136D+01  0.299387D+01 -0.112993D+02  0.665750D+01 -0.104583D+01
      3  -0.100139D+01 -0.294155D+01  0.344153D+00 -0.591239D+01 -0.426849D+01
      4   0.995750D+00 -0.405100D+01  0.175253D+02 -0.526554D+01 -0.124533D+01
      5  -0.460279D+01  0.716984D+01  0.999281D+01 -0.469083D+00 -0.235463D+01
      6   0.122029D+00 -0.701950D+01 -0.491635D+01  0.373190D+01  0.856414D+01
                16            17            18            19            20 
      1  -0.894156D+01  0.669322D+01 -0.162528D+02 -0.243201D+01  0.502941D+01
      2   0.124439D+00  0.477774D+01  0.419531D+00 -0.514006D+00 -0.238142D+01
      3   0.881712D+01 -0.114710D+02  0.158333D+02  0.294601D+01 -0.264799D+01
      4   0.151547D+02  0.230101D+00 -0.294944D+00  0.486530D+01 -0.136011D+01
      5  -0.129014D+02 -0.168716D+01 -0.469520D+01 -0.143086D+02  0.246986D+01
      6  -0.497815D+01  0.556470D+00 -0.478280D+01  0.166793D+01  0.549801D+01
                21            22            23            24            25 
      1  -0.265098D+02 -0.121634D+02 -0.459562D+01 -0.686619D+01  0.271580D+02
      2   0.662999D+01 -0.136432D+01  0.570647D+01  0.488209D+00 -0.253054D+01
      3   0.198798D+02  0.135277D+02 -0.111085D+01  0.637798D+01 -0.246274D+02
      4   0.255688D+01  0.443869D+01 -0.220764D+01  0.344201D+01  0.357471D+01
      5  -0.366578D+01  0.640590D+00  0.196319D+01  0.669621D+01  0.907138D+01
      6   0.697536D+01  0.113005D+01  0.320072D+01  0.839199D+01  0.117561D+02
                26            27            28            29            30 
      1  -0.871099D+01  0.706404D+01  0.257407D+02 -0.515109D+01  0.302619D+01
      2   0.146931D+01 -0.998049D+00 -0.788284D+01  0.798973D+01  0.599413D+00
      3   0.724168D+01 -0.606599D+01 -0.178578D+02 -0.283864D+01 -0.362560D+01
      4   0.503582D+01  0.726045D+01  0.173043D+02  0.402080D+01 -0.186064D+01
      5   0.597784D+01 -0.425642D+01  0.264538D+01 -0.128443D+01  0.865141D+01
      6   0.300900D+01  0.111071D+02  0.571884D+01 -0.105597D+01  0.577326D+01
                31            32            33            34            35 
      1  -0.302126D+01 -0.176547D+01  0.801308D+01 -0.814904D+01  0.898792D+01
      2   0.826773D+01  0.535179D+01 -0.256069D+01  0.243761D+01  0.337947D+01
      3  -0.524647D+01 -0.358631D+01 -0.545239D+01  0.571144D+01 -0.123674D+02
      4   0.159080D+02  0.289614D+00  0.167020D+01  0.112612D+02  0.582562D+01
      5   0.133590D+02 -0.296930D+00  0.223177D+01 -0.160878D+02  0.401192D+01
      6  -0.181108D+01  0.334293D+01  0.689033D+01 -0.800484D+00  0.460211D+00
                36            37            38            39            40 
      1  -0.189521D+02  0.961276D+01 -0.124742D+02  0.244469D+02  0.639723D+01
      2   0.298419D+01  0.239537D+00  0.120756D+02 -0.126535D+02  0.318912D+01
      3   0.159679D+02 -0.985230D+01  0.398618D+00 -0.117934D+02 -0.958635D+01
      4   0.146894D+01 -0.806328D+01 -0.903168D+00  0.342935D+01  0.162498D+02
      5  -0.978028D+00  0.147197D+02  0.156535D+01 -0.976136D+01  0.115602D+01
      6  -0.705041D+01 -0.189191D+01 -0.624481D+01  0.562738D+01  0.281654D+00
                41            42            43            44            45 
      1  -0.123696D+02 -0.488400D+01 -0.222986D+02 -0.365140D+01  0.869295D+01
      2   0.188461D+02 -0.112559D+02  0.251528D+01 -0.403928D+01 -0.149177D+01
      3  -0.647648D+01  0.161399D+02  0.197833D+02  0.769068D+01 -0.720118D+01
      4   0.735306D+01 -0.236226D+01 -0.205950D+01 -0.373587D+01 -0.680516D+01
      5  -0.123385D+01 -0.290869D+01  0.101100D+02 -0.722314D+01  0.721696D+01
      6  -0.732165D+01  0.654803D+01 -0.123099D+02  0.170015D+01  0.876261D+01
                46            47            48            49            50 
      1  -0.884105D+01  0.108314D+02 -0.263657D+02 -0.715668D+01 -0.167804D+02
      2   0.316252D+01 -0.105463D+02  0.943734D+01 -0.467270D+01  0.229426D+02
      3   0.567853D+01 -0.285125D+00  0.169284D+02  0.118294D+02 -0.616222D+01
      4   0.871588D+01  0.630400D-01  0.616158D+01  0.516101D+01 -0.646512D+01
      5  -0.149264D+02  0.567864D+01 -0.313500D+01  0.611741D+01  0.187474D+01
      6   0.484663D+01  0.639574D+01 -0.474296D+01 -0.231500D+00 -0.661706D+01
                51            52            53            54            55 
      1   0.322720D+01  0.403367D+02 -0.332220D+01  0.808318D+01 -0.456006D+02
      2  -0.110766D+02 -0.105949D+02 -0.144977D+01 -0.419250D+01  0.149145D+02
      3   0.784940D+01 -0.297419D+02  0.477196D+01 -0.389068D+01  0.306860D+02
      4   0.136200D+01 -0.347910D+01  0.539426D+00  0.679553D+01  0.441743D+01
      5   0.582280D+01  0.362278D+01  0.690905D+01 -0.705327D+01 -0.275163D+01
      6   0.400610D+01  0.115997D+02 -0.240508D+01  0.773899D+01  0.257176D+01
                56            57            58            59            60 
      1  -0.768800D+01 -0.264605D+01 -0.469602D+02 -0.324116D+02 -0.448399D+01
      2   0.543184D+01 -0.206798D+01  0.316228D+02  0.481240D+01  0.526372D+01
      3   0.225616D+01  0.471403D+01  0.153374D+02  0.275992D+02 -0.779723D+00
      4  -0.269591D+02  0.513644D-01 -0.559787D+02  0.266603D+02 -0.136604D+02
      5  -0.315012D+00 -0.117816D+02 -0.485481D+01 -0.142461D+02  0.569057D+00
      6   0.436247D+00  0.156249D+01 -0.208573D+01  0.498855D+01 -0.353716D+00
                61            62            63            64            65 
      1  -0.341868D+02 -0.786843D+01 -0.871854D+01 -0.578696D+02  0.142440D+02
      2   0.521598D+01  0.677870D+01  0.125222D+02  0.368657D+02 -0.169427D+01
      3   0.289709D+02  0.108973D+01 -0.380369D+01  0.210039D+02 -0.125497D+02
      4  -0.576582D+01 -0.242550D+02  0.826075D+01  0.162056D+02  0.314466D+02
      5  -0.270222D+02  0.540909D+01  0.407677D+02 -0.368375D+01  0.334259D+01
      6   0.429777D+01 -0.231729D+01 -0.671709D+01  0.799041D+00 -0.280095D+01
                66            67            68            69            70 
      1  -0.401717D+01  0.601280D+02  0.551728D+02 -0.620763D+00  0.219823D+02
      2  -0.704473D+00 -0.254730D+02 -0.299934D+02  0.277726D+01 -0.776179D+01
      3   0.472165D+01 -0.346550D+02 -0.251794D+02 -0.215650D+01 -0.142205D+02
      4   0.274765D+01  0.524590D+02 -0.147456D+02  0.183694D+02  0.706490D+01
      5   0.194464D+02  0.866402D+01  0.210216D+02  0.207733D+01  0.402660D+02
      6   0.391486D+01  0.381197D+01  0.541023D+01 -0.118448D+01  0.341719D+01
                71            72            73            74            75 
      1   0.151750D+01  0.374403D+02  0.562295D+02 -0.761692D+01 -0.616223D+01
      2   0.469811D+01 -0.110142D+02 -0.385340D+02 -0.798664D+01 -0.128808D+01
      3  -0.621562D+01 -0.264261D+02 -0.176955D+02  0.156036D+02  0.745031D+01
      4   0.237325D+02  0.501854D+01 -0.484003D+01 -0.315573D+02 -0.796624D+01
      5   0.397238D+01 -0.597800D+02 -0.559157D+01 -0.625588D+01 -0.136331D+02
      6   0.550152D+01 -0.760931D+01 -0.696431D+01 -0.244386D+01 -0.101065D+02
                76            77            78            79            80 
      1  -0.919897D+01 -0.336155D+02  0.427159D+01 -0.124549D+02  0.344779D+01
      2  -0.892814D+01  0.123748D+02 -0.131110D+02 -0.218344D+01 -0.164597D+02
      3   0.181271D+02  0.212407D+02  0.883941D+01  0.146383D+02  0.130119D+02
      4  -0.380233D+02 -0.145363D+02 -0.224364D+02 -0.798502D+01 -0.330111D+02
      5  -0.658651D+01 -0.221103D+02 -0.706229D+01 -0.224226D+02 -0.153914D+02
      6  -0.574821D+01 -0.182540D+02 -0.378458D+01 -0.116636D+02 -0.932949D+01
                81            82            83            84            85 
      1  -0.963148D+01  0.661548D+02 -0.176809D+02 -0.322000D+01 -0.330684D+02
      2   0.906731D+01 -0.354905D+02  0.804782D+01  0.163349D+00  0.148016D+02
      3   0.564169D+00 -0.306643D+02  0.963307D+01  0.305665D+01  0.182668D+02
      4  -0.206823D+02 -0.210394D+02 -0.405749D+02 -0.632773D+01 -0.661906D+02
      5   0.421454D+02 -0.687655D+01 -0.690814D+01 -0.335165D+02 -0.115633D+02
      6   0.209275D+02 -0.187873D+01 -0.535892D+01 -0.223790D+01 -0.105905D+02
                86            87            88            89            90 
      1  -0.580766D+02 -0.634655D+01 -0.151955D+02 -0.614692D+01 -0.482047D+02
      2   0.290764D+02  0.177116D+01  0.378964D+01  0.159972D+01  0.263518D+02
      3   0.290002D+02  0.457539D+01  0.114059D+02  0.454719D+01  0.218530D+02
      4   0.216215D+02 -0.443321D+02 -0.109226D+02 -0.429871D+02 -0.447911D+01
      5  -0.479590D+02 -0.324819D+01 -0.576734D+02 -0.312075D+01  0.505117D+02
      6  -0.936904D-02 -0.559271D+01 -0.411156D+01 -0.621181D+01  0.177116D+01
                91            92            93            94            95 
      1   0.665797D+00 -0.742984D+00 -0.683854D+01 -0.438536D+01 -0.203334D+02
      2  -0.454997D+01 -0.234121D+01  0.972727D+00  0.825997D+01  0.862562D+01
      3   0.388418D+01  0.308419D+01  0.586581D+01 -0.387461D+01  0.117078D+02
      4  -0.144706D+02 -0.204853D+02 -0.509845D+01 -0.469447D+02  0.225898D+02
      5  -0.200610D+02 -0.332005D+01 -0.126644D+02 -0.138493D+02 -0.818573D+01
      6  -0.184987D+01 -0.742719D+01 -0.758683D+01 -0.276940D+01  0.285631D+01
                96            97            98            99           100 
      1  -0.821419D+01 -0.213303D+02 -0.891659D+01 -0.553247D+01  0.763725D+01
      2   0.476454D+01  0.444836D+01 -0.133065D+01  0.640054D+01 -0.189770D+01
      3   0.344965D+01  0.168819D+02  0.102472D+02 -0.868075D+00 -0.573954D+01
      4  -0.807437D+01 -0.236283D+02 -0.857743D+01 -0.244563D+02  0.987337D+01
      5  -0.214098D+02 -0.224634D+02 -0.232273D+02  0.211236D+02  0.141706D+02
      6  -0.454019D+01 -0.111428D+02 -0.603554D+01  0.771910D+01 -0.655200D+01
               101           102           103           104           105 
      1   0.244608D+01  0.445106D+01  0.167483D+02  0.692375D+01  0.387809D+00
      2  -0.979398D+00 -0.304976D+01 -0.171124D+02  0.174358D+01  0.402954D+01
      3  -0.146669D+01 -0.140130D+01  0.364075D+00 -0.866733D+01 -0.441734D+01
      4   0.413345D+01 -0.498797D+01  0.387050D+01 -0.200658D+02  0.108106D+02
      5  -0.661679D+01 -0.496052D+01 -0.152514D+02  0.131603D+02  0.356534D+02
      6   0.531257D+01  0.806608D+01  0.731637D+01 -0.128468D+02 -0.191775D+02
               106           107           108           109           110 
      1   0.203955D+02 -0.233551D+01 -0.184322D+01  0.221064D+02 -0.149931D+02
      2  -0.158819D+01 -0.962137D+01  0.434849D+01 -0.134257D+02  0.704509D+01
      3  -0.188073D+02  0.119569D+02 -0.250527D+01 -0.868066D+01  0.794796D+01
      4  -0.172934D+02  0.346617D+02  0.277833D+02 -0.213132D+02  0.172662D+02
      5  -0.236182D+02  0.287946D+02  0.191128D+02 -0.318374D+02  0.998741D+01
      6   0.157441D+02 -0.225474D+02 -0.121683D+02  0.119813D+02 -0.358936D+01
               111           112           113           114           115 
      1  -0.232395D+02 -0.167146D+02 -0.619935D+01 -0.574080D+01 -0.330555D+02
      2   0.151046D+02  0.564523D+01  0.153552D+02  0.357787D+01  0.188553D+02
      3   0.813498D+01  0.110694D+02 -0.915589D+01  0.216293D+01  0.142003D+02
      4   0.126811D+02  0.297389D+02 -0.324338D+02 -0.253106D+02  0.293488D+02
      5   0.228455D+02  0.209657D+02 -0.277365D+02 -0.299437D+02  0.415152D+02
      6  -0.561032D+01 -0.952943D+01  0.253264D+02  0.266078D+02 -0.168398D+02
               116           117           118           119           120 
      1  -0.297761D+01 -0.342336D+01  0.830213D+01 -0.443157D+01  0.126049D+02
      2   0.677474D+01 -0.163356D+02 -0.770207D+01  0.936087D+01 -0.866497D+01
      3  -0.379713D+01  0.197590D+02 -0.600062D+00 -0.492929D+01 -0.393995D+01
      4  -0.362746D+02 -0.282480D+02  0.996792D+00 -0.999907D+01 -0.238755D+01
      5  -0.315379D+02 -0.697596D+02  0.108906D+02  0.201509D+01  0.736820D+01
      6   0.285212D+02  0.362939D+02 -0.369607D+01 -0.239503D+01 -0.147025D+01
               121           122           123           124           125 
      1   0.911369D-01 -0.592131D+01  0.409986D+01  0.189713D+02  0.135546D+01
      2   0.117808D+02 -0.182938D+02  0.379632D-01 -0.115859D+02 -0.608683D+00
      3  -0.118720D+02  0.242152D+02 -0.413783D+01 -0.738547D+01 -0.746776D+00
      4  -0.225007D+02  0.540780D+02 -0.126294D+01 -0.803309D+01  0.643844D+01
      5   0.378043D+01 -0.169538D+01 -0.201128D+01  0.178674D+02 -0.118455D+02
      6  -0.515929D+01  0.469529D+01  0.687186D+01 -0.453154D+01  0.131884D+02
               126           127           128           129           130 
      1  -0.796978D+00 -0.949062D+00 -0.954287D-01  0.359723D+01 -0.281658D+01
      2  -0.794495D+01 -0.558939D+01 -0.132910D+01  0.580402D+01 -0.425429D+00
      3   0.874193D+01  0.653845D+01  0.142452D+01 -0.940125D+01  0.324201D+01
      4  -0.111174D+02  0.915094D+00  0.259994D+01 -0.803339D+00  0.113355D+01
      5   0.316321D+02 -0.988433D+01 -0.264298D+01  0.127751D+02 -0.280847D+01
      6  -0.172306D+02  0.350596D+00 -0.154684D+01 -0.646687D+00 -0.104299D+01
               131           132           133           134           135 
      1  -0.346007D+01  0.804567D+01  0.431454D+01  0.491753D+01 -0.247361D+02
      2  -0.406349D+00  0.327313D+01  0.714422D+01  0.204559D+01 -0.150606D+02
      3   0.386642D+01 -0.113188D+02 -0.114588D+02 -0.696312D+01  0.397967D+02
      4   0.122557D+01 -0.140471D+01 -0.175177D+01 -0.301360D+01  0.185047D+01
      5  -0.273275D+01  0.452743D+01  0.124565D+02  0.415645D+01 -0.200897D+02
      6  -0.284529D+01  0.197064D+01  0.892907D+00  0.523409D+01 -0.251100D+01
               136           137           138           139           140 
      1   0.319949D+01  0.258791D+00 -0.102242D+01  0.480491D+00 -0.167953D+01
      2  -0.601693D+01  0.982132D+00 -0.481036D+01  0.220441D+01 -0.420074D+00
      3   0.281744D+01 -0.124092D+01  0.583278D+01 -0.268490D+01  0.209961D+01
      4  -0.154177D+01  0.355072D+01 -0.115624D+01  0.276515D+01 -0.327550D+01
      5   0.124003D+02 -0.292419D+01  0.107948D+02 -0.456970D+01  0.324270D+01
      6  -0.645519D+00  0.154620D+01 -0.897625D+00  0.951732D+00 -0.279060D+01
               141           142           143           144           145 
      1   0.524749D+01 -0.420046D+01  0.404517D+01 -0.136902D+02 -0.282065D+01
      2   0.263994D+01 -0.598836D+01  0.127086D+01 -0.945316D+01 -0.279446D+01
      3  -0.788743D+01  0.101888D+02 -0.531603D+01  0.231434D+02  0.561511D+01
      4   0.135635D+01 -0.179398D+01  0.286848D+01 -0.229216D+01  0.569883D+01
      5  -0.659719D+01  0.133313D+02 -0.438737D+01  0.172247D+02 -0.947912D+01
      6   0.221430D+01 -0.175047D+01  0.467709D+01 -0.363026D+01 -0.613672D+01
               146           147           148           149           150 
      1  -0.186332D+01  0.556446D+01 -0.294342D+01 -0.466586D+01  0.874005D+01
      2   0.256210D+00  0.279368D+01 -0.523341D+00  0.752487D+00  0.618944D+00
      3   0.160711D+01 -0.835814D+01  0.346676D+01  0.391338D+01 -0.935899D+01
      4   0.387810D+01 -0.562833D+01  0.246477D+01  0.169115D+01 -0.298898D+01
      5  -0.371466D+01  0.122151D+02 -0.371019D+01 -0.271187D+01  0.446814D+01
      6  -0.359428D+01  0.660440D+01 -0.322417D+01 -0.514562D+01  0.872479D+01
               151           152           153           154           155 
      1   0.819019D+01  0.112243D+02 -0.300098D+02  0.216400D+01  0.245589D+01
      2   0.197748D+01 -0.286233D+01 -0.523605D+01 -0.326260D+01 -0.191405D+01
      3  -0.101677D+02 -0.836195D+01  0.352459D+02  0.109860D+01 -0.541845D+00
      4  -0.573038D+01 -0.560045D+01  0.835470D+01 -0.105626D+02  0.745360D+01
      5   0.109846D+02  0.563892D+01 -0.180161D+02  0.157171D+02 -0.607915D+01
      6   0.882069D+01  0.129209D+02 -0.238715D+02 -0.910165D+01  0.575079D+01
               156           157           158           159           160 
      1  -0.218182D+01  0.434858D+00 -0.372717D+01  0.555007D+01 -0.488531D+01
      2  -0.229121D+01  0.109307D+01  0.162647D+01  0.241990D+00 -0.256570D+01
      3   0.447303D+01 -0.152792D+01  0.210071D+01 -0.579206D+01  0.745101D+01
      4  -0.842661D+01  0.486355D+01 -0.518402D+01  0.582243D+01 -0.883461D+01
      5   0.145993D+02 -0.764000D+01  0.499166D+01 -0.792403D+01  0.156900D+02
      6  -0.907766D+01  0.560059D+01 -0.597317D+01  0.852493D+01 -0.108885D+02
               161           162           163           164           165 
      1   0.838445D+01 -0.168968D+02  0.891173D+01  0.521123D-01 -0.770227D+01
      2  -0.332973D+01 -0.291019D+01 -0.829229D+01 -0.373489D+00  0.670171D+01
      3  -0.505472D+01  0.198070D+02 -0.619438D+00  0.321377D+00  0.100057D+01
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      6   0.119060D+02 -0.192023D+02  0.223247D+01 -0.143645D+01 -0.217611D+01
               166           167           168           169           170 
      1   0.887041D+01  0.181842D+01 -0.205810D+01 -0.152506D+02 -0.286511D+01
      2  -0.557064D+01 -0.525406D+00  0.142979D+01  0.139607D+02  0.268399D+00
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      4   0.773200D+01 -0.405064D+01 -0.452473D+01  0.644563D+01 -0.866403D+01
      5  -0.718746D+00 -0.477051D+01  0.162819D+01  0.233411D+02 -0.902568D+01
      6  -0.170653D+01  0.140491D+01  0.536786D+01 -0.550835D+01  0.643321D+01
               171           172           173           174           175 
      1  -0.433145D+01  0.232230D+02 -0.955720D+01  0.401946D+01 -0.153806D+02
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      6   0.120803D+02 -0.144263D+01  0.638717D-01 -0.112627D+01  0.119360D+01
               176           177           178           179           180 
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               181           182           183           184           185 
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               186           187           188           189           190 
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      6   0.715950D+01 -0.343092D+00  0.331211D+01  0.724387D+01  0.251826D+01
               191           192           193           194           195 
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      6   0.359830D+00 -0.329594D+01  0.840282D+00  0.118329D+01  0.208474D+01
               196           197           198           199           200 
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      6  -0.203815D+01  0.380574D+01 -0.145672D+01 -0.391436D+01 -0.203026D+01
               201           202           203           204           205 
      1  -0.710058D+01 -0.104929D+01 -0.583646D+00  0.260794D+01 -0.107795D+02
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      5   0.146846D+02 -0.374038D+00 -0.525681D+01  0.263590D+01  0.163046D+02
      6   0.568919D+01 -0.159915D+01 -0.291318D+01  0.754757D+01  0.776637D+01
               206           207           208           209           210 
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      2  -0.546042D+01 -0.873604D+01  0.270640D+01  0.818817D+01  0.195641D+00
      3  -0.348949D+00  0.152215D+02 -0.158399D+02 -0.178103D+02 -0.556359D+01
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      5   0.148276D+02 -0.506321D+02  0.796151D+01  0.614184D+01  0.901286D+01
      6   0.126354D+02 -0.290278D+02  0.516014D+01  0.491120D+01  0.617217D+01
               211           212           213           214           215 
      1   0.819495D+01 -0.323620D+01 -0.118819D+01  0.958643D+01 -0.206009D+01
      2   0.955097D+01  0.330674D+02  0.830993D+01 -0.370460D-03  0.129154D+02
      3  -0.177459D+02 -0.298312D+02 -0.712175D+01 -0.958606D+01 -0.108553D+02
      4   0.348554D+02  0.582615D+02  0.156560D+02  0.168054D+02  0.286455D+02
      5   0.672878D+01  0.141265D+02  0.104495D+02  0.115497D+02  0.145828D+02
      6   0.577345D+01  0.127459D+02  0.101631D+02  0.777607D+01  0.129369D+02
               216           217           218           219           220 
      1   0.101819D+01  0.272136D+02  0.101318D+01 -0.196187D+02  0.330022D+01
      2   0.277895D+01 -0.159488D+02 -0.341390D+00  0.109899D+02 -0.130880D+01
      3  -0.379714D+01 -0.112648D+02 -0.671790D+00  0.862884D+01 -0.199142D+01
      4   0.165109D+02  0.195800D+01  0.847672D+01  0.374062D+00  0.153656D+02
      5   0.887857D+01 -0.202839D+02  0.800879D+00  0.241590D+02  0.166634D+00
      6   0.816239D+01 -0.400718D+00  0.405389D+00  0.462846D+00 -0.966706D+00
               221           222           223           224           225 
      1   0.107164D+02  0.680596D+00 -0.504970D+02  0.184929D+01  0.308977D+02
      2  -0.544562D+01 -0.652374D+00  0.297211D+02 -0.158093D+01 -0.240390D+02
      3  -0.527082D+01 -0.282215D-01  0.207759D+02 -0.268362D+00 -0.685868D+01
      4  -0.173426D+01 -0.465605D+01 -0.436848D-01 -0.108101D+02  0.718896D+00
      5  -0.437254D+01  0.941890D+00  0.445507D+02 -0.376084D+00 -0.707448D+02
      6  -0.538220D+00  0.425953D+01  0.189108D+01  0.407892D+01 -0.239274D+01
               226           227           228           229           230 
      1   0.255492D+02 -0.200289D+02  0.101561D+02 -0.447200D+02  0.309665D+02
      2  -0.123670D+02  0.970498D+01 -0.552988D+01  0.221328D+02 -0.106733D+02
      3  -0.131822D+02  0.103239D+02 -0.462620D+01  0.225871D+02 -0.202932D+02
      4  -0.204497D+02  0.237538D+02 -0.709056D+01  0.420764D+02 -0.642001D+02
      5   0.119442D+02 -0.798364D+01  0.119422D+02 -0.155451D+02  0.250268D+02
      6  -0.260343D+01  0.205035D+01 -0.916977D+00  0.480658D+01 -0.733504D+01
               231           232           233           234           235 
      1  -0.953596D+01  0.211853D+02 -0.814930D+01  0.144007D+02  0.580012D+02
      2   0.600752D+01 -0.121732D+02  0.540295D+01 -0.104023D+02 -0.279386D+02
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      4   0.233212D+02 -0.118294D+02  0.250860D+02 -0.147977D+02  0.334559D+02
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      6   0.588092D+01 -0.250448D+01  0.635424D+01 -0.433856D+01  0.546700D+01
               236           237           238           239           240 
      1   0.274401D+02  0.190398D+02  0.598523D+02  0.310916D+02  0.141651D+02
      2  -0.123097D+02 -0.101453D+02 -0.266264D+02 -0.918515D+01 -0.703599D+01
      3  -0.151305D+02 -0.889453D+01 -0.332260D+02 -0.219064D+02 -0.712910D+01
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      5   0.129083D+02  0.200849D+02  0.235784D+02  0.233533D+02  0.212903D+02
      6   0.327648D+01  0.294731D+01  0.758965D+01  0.762969D+01  0.678651D+01
               241           242           243           244           245 
      1   0.375780D+02  0.123136D+02  0.214662D+02  0.216729D+01  0.387296D+01
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      4   0.201866D+02  0.245328D+02  0.166629D+02  0.633017D+01  0.734728D+01
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      6   0.630391D+01  0.696549D+01  0.613681D+01 -0.451549D+01 -0.521222D+00
               246           247           248           249           250 
      1  -0.623906D+01  0.433506D+01 -0.109031D+00  0.197991D+01 -0.819522D+01
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      4  -0.378356D+01  0.109586D+02  0.707791D+01 -0.747420D+01 -0.630683D+01
      5   0.123325D+02 -0.397500D+01 -0.761754D+01  0.117572D+02  0.165617D+02
      6   0.261782D+01 -0.220082D+01 -0.627247D+01  0.842714D+01  0.446039D+01
               251           252           253           254           255 
      1   0.228930D+01 -0.440791D+01 -0.908353D+02 -0.102342D+02  0.634054D+01
      2   0.841564D+00 -0.931935D+01  0.452838D+02  0.137610D+02 -0.473529D+01
      3  -0.313086D+01  0.137273D+02  0.455515D+02 -0.352682D+01 -0.160525D+01
      4  -0.111560D+02  0.114421D+02 -0.147429D+02  0.270000D+02  0.115622D+02
      5   0.102174D+02 -0.360381D+02  0.109689D+02  0.864934D+01  0.154925D+02
      6   0.768672D+01 -0.132050D+02  0.894559D+01  0.712166D+01  0.564426D+01
               256           257           258           259           260 
      1   0.142010D+02  0.379678D+02  0.381889D+01  0.309691D+02  0.396088D+01
      2  -0.317921D+01 -0.410578D+02 -0.825869D+01 -0.133391D+02 -0.349323D+01
      3  -0.110218D+02  0.308995D+01  0.443980D+01 -0.176300D+02 -0.467653D+00
      4   0.309036D+02 -0.284683D+02  0.550237D+01  0.241315D+02  0.165158D+02
      5   0.142164D+02  0.829808D+01  0.195549D+02  0.228817D+02  0.212007D+02
      6   0.794022D+01 -0.425920D+01  0.670159D+01  0.100802D+02  0.910782D+01
               261           262           263           264           265 
      1   0.159046D+02  0.909104D+01 -0.104547D+02  0.337628D+01 -0.880391D+01
      2   0.593592D+01  0.155227D+01 -0.880774D+00 -0.325113D+00 -0.957453D+01
      3  -0.218405D+02 -0.106433D+02  0.113355D+02 -0.305117D+01  0.183784D+02
      4   0.246208D+02 -0.178001D+02  0.214964D+02 -0.513217D+01  0.353884D+02
      5  -0.179384D+02  0.657054D+01 -0.539047D+01  0.459219D+01 -0.988405D+01
      6  -0.250002D+01 -0.403088D+01  0.366834D+01 -0.180842D+01  0.725454D+01
               266           267           268           269           270 
      1  -0.241272D+01 -0.900926D-01  0.307674D+00  0.130692D+01 -0.500504D+00
      2   0.346866D+02 -0.606158D+01 -0.228271D+01  0.373386D+01  0.142567D+01
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      4  -0.702448D+02  0.153348D+02  0.216967D+01 -0.402638D+01 -0.510683D+01
      5   0.165671D+02 -0.125386D+02  0.390743D+01 -0.519629D+01  0.560197D+01
      6  -0.155896D+02  0.860051D+01 -0.232573D+01  0.527286D+01 -0.352543D+01
               271           272           273           274           275 
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      2  -0.602781D+01 -0.114997D+01 -0.214198D+01  0.364050D+01  0.303929D+01
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      4  -0.866658D+00 -0.330905D+01 -0.348692D+00 -0.298255D+01 -0.292603D+01
      5   0.329197D+01 -0.173275D+01 -0.179172D+00 -0.456297D+01  0.366349D+01
      6  -0.392287D+00 -0.157250D+01 -0.127710D+01 -0.779972D+00 -0.261064D+00
               276           277           278           279           280 
      1  -0.317481D+00  0.104480D+02 -0.858281D-02 -0.119633D+02  0.136739D+03
      2   0.522743D+01 -0.700687D+01  0.465284D+01 -0.159901D+02 -0.643346D+02
      3  -0.490995D+01 -0.344114D+01 -0.464425D+01  0.279535D+02 -0.724040D+02
      4   0.406109D+01  0.483813D+01  0.900696D+01 -0.387673D+01  0.469588D+02
      5  -0.103665D+02  0.993188D+01 -0.279777D+01  0.439952D+02  0.123483D+02
      6   0.970974D+00  0.149233D+01  0.338838D+01  0.127551D+02  0.374171D+00
               281           282           283           284           285 
      1   0.128309D+02 -0.164360D+00 -0.490658D+01  0.721180D+01 -0.463835D+00
      2  -0.253233D+01 -0.855417D+00  0.529409D+01 -0.230511D-01  0.762732D+00
      3  -0.102986D+02  0.101978D+01 -0.387509D+00 -0.718874D+01 -0.298897D+00
      4   0.193010D+02  0.142802D+01  0.138542D+02  0.720720D+01 -0.861065D+00
      5   0.199652D+01  0.133421D+02 -0.133564D+01 -0.532071D+00 -0.197584D+01
      6   0.196197D+01  0.384838D+01  0.512553D+00  0.679329D+00  0.273599D+00
               286           287           288           289           290 
      1  -0.172929D+02 -0.207461D+01  0.898705D+01  0.150117D+01  0.147575D+02
      2   0.688557D+01  0.295415D-01 -0.663133D+01  0.222391D+01 -0.149334D+02
      3   0.104073D+02  0.204507D+01 -0.235572D+01 -0.372508D+01  0.175888D+00
      4  -0.781634D+01 -0.477378D+01  0.155449D+01  0.456264D+01 -0.791746D+01
      5   0.125641D+02 -0.245137D+00 -0.988330D-01 -0.175949D+01 -0.803704D+00
      6   0.334193D+01  0.741953D+00 -0.441732D+00 -0.414999D-01 -0.325413D+01
               291           292           293           294           295 
      1   0.638611D+00  0.115624D+02 -0.338145D+02 -0.341679D+01 -0.390437D+01
      2  -0.632004D+00 -0.415854D+01  0.558616D+02  0.367631D+01  0.689841D+00
      3  -0.660663D-02 -0.740381D+01 -0.220472D+02 -0.259526D+00  0.321453D+01
      4  -0.246228D+01  0.111713D+02  0.618730D+02  0.716209D+01 -0.315724D+01
      5  -0.282510D+01  0.304985D+01  0.446791D+01  0.717281D+01  0.912873D-01
      6  -0.246926D+01  0.467467D+00  0.125398D+02  0.776965D+01 -0.270891D+00
               296           297 
      1  -0.104334D+01 -0.573691D+01
      2  -0.154152D+01  0.412177D+01
      3   0.258485D+01  0.161514D+01
      4  -0.466155D+01  0.386536D+01
      5   0.469581D+01  0.237028D+01
      6   0.696291D+01  0.167215D+01
 Leave Link  716 at Wed Sep  8 15:12:45 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.228662D+03 -0.253333D+01 -0.294830D+00
      2  -0.253333D+01  0.140950D+03 -0.718247D+01
      3  -0.294830D+00 -0.718247D+01  0.154086D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.205815D+01 -0.652663D+01  0.223930D+02
      2   0.100873D+02 -0.747896D+01  0.317658D+02
      3  -0.116262D+03 -0.435371D+02  0.104793D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.266277D+03  0.466812D+02  0.376035D+01
      2  -0.140507D+03 -0.248094D+02  0.207789D+02
      3  -0.125769D+03 -0.218718D+02 -0.245393D+02
      4  -0.315221D+02  0.752928D+02 -0.245947D+02
      5  -0.187531D+01 -0.264432D+02  0.627317D+02
      6  -0.135790D+02  0.134090D+02 -0.338552D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.153698D+02  0.491916D+00  0.960578D+00  0.664132D+01  0.222992D+01
      2   0.491916D+00  0.116949D+01  0.133806D+00  0.222992D+01  0.200976D+01
      3   0.960578D+00  0.133806D+00  0.192727D+01 -0.454218D-01 -0.286912D+01
                 6             7             8             9            10 
      1  -0.454218D-01 -0.124570D+02  0.531770D+00 -0.605222D+00  0.353650D+02
      2  -0.286912D+01  0.531770D+00 -0.159283D+01 -0.117653D+01  0.142526D+01
      3  -0.230792D+01 -0.605222D+00 -0.117653D+01 -0.169256D+01 -0.109116D+01
                11            12            13            14            15 
      1   0.142526D+01 -0.109116D+01 -0.784975D+00  0.487930D+01  0.109269D+01
      2   0.208003D+01 -0.706967D+00  0.487930D+01 -0.882954D+00 -0.124203D+00
      3  -0.706967D+00  0.303611D+01  0.109269D+01 -0.124203D+00 -0.659370D+00
                16            17            18            19            20 
      1  -0.316215D+01  0.103506D+01  0.158344D+01  0.121744D+02 -0.538627D+00
      2   0.103506D+01  0.566575D+00 -0.865855D+00 -0.538627D+00 -0.128494D+01
      3   0.158344D+01 -0.865855D+00 -0.807585D+00 -0.908108D+00 -0.338771D+00
                21            22            23            24            25 
      1  -0.908108D+00  0.571395D+01 -0.169186D+01 -0.107063D+01 -0.154083D+02
      2  -0.338771D+00 -0.169186D+01  0.253704D+01 -0.231091D+01  0.772428D-01
      3  -0.346015D+01 -0.107063D+01 -0.231091D+01 -0.144360D+01  0.960094D+00
                26            27            28            29            30 
      1   0.772428D-01  0.960094D+00 -0.342846D+02  0.683668D+00  0.907264D+00
      2  -0.995937D+00 -0.993958D+00  0.683668D+00 -0.205227D+01  0.213659D+00
      3  -0.993958D+00 -0.159845D+01  0.907264D+00  0.213659D+00 -0.290069D+01
                31            32            33            34            35 
      1   0.243938D+01 -0.517368D+01 -0.155232D+01  0.284787D+01 -0.123507D+01
      2  -0.517368D+01  0.551408D+00  0.378506D+00 -0.123507D+01 -0.264819D+00
      3  -0.155232D+01  0.378506D+00  0.736214D-02 -0.955627D+00 -0.865671D+00
                36            37            38            39            40 
      1  -0.955627D+00  0.163021D+02 -0.573156D+00 -0.124958D+01 -0.396582D+01
      2  -0.865671D+00 -0.573156D+00 -0.260244D+01  0.149435D+01 -0.179828D+01
      3   0.541185D+00 -0.124958D+01  0.149435D+01 -0.225729D+01 -0.516781D+00
                41            42            43            44            45 
      1  -0.179828D+01 -0.516781D+00  0.136788D+02 -0.212983D+01  0.369276D+00
      2  -0.286301D+01  0.258150D+01 -0.212983D+01  0.155392D+01  0.140955D+01
      3   0.258150D+01  0.196384D+01  0.369276D+00  0.140955D+01  0.166400D+01
                46            47            48            49            50 
      1  -0.118556D+02  0.464846D+00  0.869789D+00 -0.353746D+01  0.107806D+01
      2   0.464846D+00  0.232984D+01 -0.989839D+00  0.107806D+01 -0.354191D+01
      3   0.869789D+00 -0.989839D+00  0.330060D+01  0.155793D+01  0.225043D+01
                51            52            53            54            55 
      1   0.155793D+01  0.149049D+02  0.154142D+01 -0.135704D+01 -0.189023D+02
      2   0.225043D+01  0.154142D+01 -0.389183D-01  0.157016D+01 -0.207516D+01
      3   0.114959D+01 -0.135704D+01  0.157016D+01  0.938890D+00 -0.241113D+00
                56            57            58            59            60 
      1  -0.207516D+01 -0.241113D+00 -0.718210D+01 -0.794294D+01 -0.542403D+00
      2  -0.374990D+01 -0.139136D+00 -0.794294D+01  0.254663D+01 -0.180152D+01
      3  -0.139136D+00 -0.148685D+01 -0.542403D+00 -0.180152D+01 -0.146150D-01
                61            62            63            64            65 
      1  -0.721881D+01 -0.141913D+01 -0.330250D+01 -0.540136D+00  0.309430D+01
      2  -0.141913D+01 -0.341567D+01  0.731845D+00  0.309430D+01  0.425295D+01
      3  -0.330250D+01  0.731845D+00  0.547591D+01 -0.252124D+00  0.394691D+00
                66            67            68            69            70 
      1  -0.252124D+00  0.132740D+02  0.733070D+01  0.853180D+00  0.700768D+01
      2   0.394691D+00  0.733070D+01 -0.180700D+01  0.240766D+01  0.147720D+01
      3   0.269999D+01  0.853180D+00  0.240766D+01  0.522867D+00  0.419835D+01
                71            72            73            74            75 
      1   0.147720D+01  0.419835D+01  0.628724D+01 -0.272807D+01 -0.992001D+00
      2   0.352379D+01  0.577166D+00 -0.272807D+01 -0.372128D+01 -0.708102D+00
      3   0.577166D+00 -0.766020D+01 -0.992001D+00 -0.708102D+00 -0.201484D+01
                76            77            78            79            80 
      1  -0.383157D+01 -0.426757D+01 -0.946193D+00 -0.243141D+01 -0.962153D+00
      2  -0.426757D+01 -0.321994D+00 -0.309094D+01 -0.962153D+00 -0.438319D+01
      3  -0.946193D+00 -0.309094D+01 -0.984751D+00 -0.284678D+01 -0.203237D+01
                81            82            83            84            85 
      1  -0.284678D+01  0.607070D+01 -0.173916D+01 -0.412660D+00 -0.441535D+01
      2  -0.203237D+01 -0.173916D+01 -0.359771D+01 -0.563103D+00 -0.618982D+01
      3   0.555230D+01 -0.412660D+00 -0.563103D+00 -0.291922D+01 -0.926653D+00
                86            87            88            89            90 
      1  -0.618982D+01 -0.926653D+00 -0.222908D+01 -0.994097D+00 -0.492616D+01
      2   0.213683D+01 -0.401906D+01 -0.994097D+00 -0.414059D+01 -0.238147D+00
      3  -0.401906D+01 -0.419268D+00 -0.492616D+01 -0.238147D+00  0.458066D+01
                91            92            93            94            95 
      1   0.841870D+01  0.158729D+01  0.210859D+01 -0.450142D+01  0.693214D+01
      2   0.158729D+01  0.236957D+01  0.452432D+00  0.693214D+01 -0.439816D+01
      3   0.210859D+01  0.452432D+00  0.169574D+01  0.170273D+01  0.760676D+00
                96            97            98            99           100 
      1   0.170273D+01  0.361512D+01  0.244566D+01  0.267589D+01  0.838143D+00
      2   0.760676D+00  0.244566D+01  0.806269D+00  0.289407D+01 -0.128016D+01
      3   0.236656D+01  0.267589D+01  0.289407D+01 -0.308971D+01 -0.171649D+01
               101           102           103           104           105 
      1  -0.128016D+01 -0.171649D+01 -0.705354D+00 -0.125837D+01  0.155295D+01
      2  -0.331674D+00  0.912652D+00 -0.125837D+01  0.410945D+01 -0.183856D+01
      3   0.912652D+00  0.603450D+00  0.155295D+01 -0.183856D+01 -0.295178D+01
               106           107           108           109           110 
      1  -0.538877D+01  0.243306D+01  0.148791D+01 -0.294220D+01  0.196403D+01
      2   0.243306D+01 -0.471226D+01 -0.366839D+01  0.196403D+01 -0.876084D+00
      3   0.148791D+01 -0.366839D+01 -0.216480D+01  0.345258D+01 -0.843954D+00
               111           112           113           114           115 
      1   0.345258D+01  0.413366D+01 -0.315040D+01 -0.200666D+01  0.851889D+01
      2  -0.843954D+00 -0.315040D+01  0.436134D+01  0.390789D+01 -0.369197D+01
      3  -0.148954D+01 -0.200666D+01  0.390789D+01  0.335871D+01 -0.370881D+01
               116           117           118           119           120 
      1  -0.369197D+01 -0.370881D+01  0.586714D-01 -0.365795D+00 -0.137435D+01
      2   0.519990D+01  0.426220D+01 -0.365795D+00  0.211665D+01 -0.277958D+00
      3   0.426220D+01  0.890835D+01 -0.137435D+01 -0.277958D+00 -0.107471D+00
               121           122           123           124           125 
      1  -0.994323D+00  0.339638D+01 -0.694612D+00 -0.458631D+01  0.858997D+00
      2   0.339638D+01 -0.752978D+01  0.831957D-01  0.858997D+00 -0.924453D+00
      3  -0.694612D+00  0.831957D-01 -0.204142D+00 -0.110341D+01  0.150353D+01
               126           127           128           129           130 
      1  -0.110341D+01  0.203159D+01  0.642298D+00 -0.209206D+01  0.113410D+00
      2   0.150353D+01  0.642298D+00  0.251389D+00 -0.437304D+00  0.167153D+00
      3  -0.402063D+01 -0.209206D+01 -0.437304D+00  0.220138D+01 -0.704027D+00
               131           132           133           134           135 
      1   0.167153D+00 -0.704027D+00 -0.240694D+01 -0.870909D+00  0.282513D+01
      2   0.328724D+00 -0.592355D+00 -0.870909D+00 -0.110438D+01  0.166336D+01
      3  -0.592355D+00  0.221114D+01  0.282513D+01  0.166336D+01 -0.726720D+01
               136           137           138           139           140 
      1  -0.364321D+01  0.898516D+00 -0.210045D+01  0.151313D+01 -0.613215D+00
      2   0.898516D+00 -0.587137D+00  0.603136D+00 -0.613215D+00  0.582314D+00
      3  -0.210045D+01  0.603136D+00 -0.185078D+01  0.116024D+01 -0.584761D+00
               141           142           143           144           145 
      1   0.116024D+01 -0.253110D+01  0.886064D+00 -0.274416D+01 -0.204770D+01
      2  -0.584761D+00  0.886064D+00 -0.107469D+01  0.142750D+01 -0.719497D+00
      3   0.185587D+01 -0.274416D+01  0.142750D+01 -0.481639D+01  0.208155D+01
               146           147           148           149           150 
      1  -0.719497D+00  0.208155D+01 -0.495786D+00 -0.194862D+00  0.769428D+00
      2  -0.342733D+00  0.707687D+00 -0.194862D+00 -0.524754D+00  0.817904D+00
      3   0.707687D+00 -0.219818D+01  0.769428D+00  0.817904D+00 -0.230743D+01
               151           152           153           154           155 
      1   0.204427D+01  0.104609D+01 -0.274297D+01  0.363096D+01 -0.110351D+01
      2   0.104609D+01  0.160620D+01 -0.243976D+01 -0.110351D+01  0.827581D+00
      3  -0.274297D+01 -0.243976D+01  0.731581D+01  0.259335D+01 -0.112722D+01
               156           157           158           159           160 
      1   0.259335D+01 -0.192915D+01  0.722052D+00 -0.131990D+01  0.271609D+01
      2  -0.112722D+01  0.722052D+00 -0.801994D+00  0.883557D+00 -0.127644D+01
      3   0.236194D+01 -0.131990D+01  0.883557D+00 -0.207947D+01  0.308286D+01
               161           162           163           164           165 
      1  -0.127644D+01  0.308286D+01  0.124630D+01 -0.710983D-01 -0.154055D+01
      2   0.158369D+01 -0.217464D+01 -0.710983D-01  0.738671D+00  0.327541D+00
      3  -0.217464D+01  0.527679D+01 -0.154055D+01  0.327541D+00  0.141333D+01
               166           167           168           169           170 
      1   0.188842D+01  0.120551D+01 -0.711216D-01 -0.387026D+01  0.165456D+00
      2   0.120551D+01 -0.421152D+00 -0.694565D+00  0.165456D+00 -0.113539D+01
      3  -0.711216D-01 -0.694565D+00  0.128800D+00  0.253950D+01 -0.127436D+01
               171           172           173           174           175 
      1   0.253950D+01  0.465839D+01 -0.194193D+01  0.663707D+00 -0.449534D+01
      2  -0.127436D+01 -0.194193D+01  0.243962D+01 -0.812447D-01  0.372587D+01
      3  -0.622838D+01  0.663707D+00 -0.812447D-01  0.356247D+00 -0.259077D+00
               176           177           178           179           180 
      1   0.372587D+01 -0.259077D+00  0.569731D+01 -0.522877D+00  0.112514D+01
      2  -0.668310D+01  0.913850D+00 -0.522877D+00  0.223662D+01 -0.112442D+01
      3   0.913850D+00 -0.748730D+00  0.112514D+01 -0.112442D+01  0.341032D+00
               181           182           183           184           185 
      1  -0.790723D+00 -0.802101D+00  0.123804D+01 -0.177610D+01 -0.870696D+00
      2  -0.802101D+00 -0.884502D+00 -0.587883D-01 -0.870696D+00  0.200641D+00
      3   0.123804D+01 -0.587883D-01 -0.106251D+01  0.932311D-01  0.628749D+00
               186           187           188           189           190 
      1   0.932311D-01  0.221365D+01  0.154558D+00 -0.749419D+00 -0.893957D+01
      2   0.628749D+00  0.154558D+00  0.105584D+01  0.685419D-02  0.654580D+00
      3   0.207554D-01 -0.749419D+00  0.685419D-02  0.739469D+01  0.375988D+00
               191           192           193           194           195 
      1   0.654580D+00  0.375988D+00  0.172248D+00 -0.128344D+01  0.787029D-01
      2  -0.237031D+01  0.102311D+00 -0.128344D+01  0.752665D+00  0.332162D+00
      3   0.102311D+00 -0.627844D+00  0.787029D-01  0.332162D+00  0.404121D+00
               196           197           198           199           200 
      1   0.434974D+00 -0.157840D+00 -0.283746D+00  0.392747D+00  0.656634D+00
      2  -0.157840D+00  0.576321D+00  0.599550D+00  0.656634D+00  0.934970D+00
      3  -0.283746D+00  0.599550D+00 -0.334401D+00 -0.105568D+01 -0.313904D+00
               201           202           203           204           205 
      1  -0.105568D+01  0.277918D+00  0.572525D+00 -0.625795D-01 -0.174705D+01
      2  -0.313904D+00  0.572525D+00  0.824060D+00 -0.671794D+00 -0.563106D+00
      3   0.144946D+01 -0.625795D-01 -0.671794D+00  0.475225D+00  0.155916D+01
               206           207           208           209           210 
      1  -0.563106D+00  0.155916D+01  0.241051D+01  0.273887D+01  0.900290D+00
      2  -0.194361D+01  0.195170D+01  0.273887D+01  0.349427D+01  0.738537D+00
      3   0.195170D+01 -0.678307D+01  0.900290D+00  0.738537D+00  0.945185D+00
               211           212           213           214           215 
      1   0.227721D+01  0.345218D+01  0.885317D+00  0.193446D+01  0.161849D+01
      2   0.345218D+01  0.709584D+01  0.198130D+01  0.161849D+01  0.362215D+01
      3   0.885317D+00  0.198130D+01  0.133895D+01  0.127874D+01  0.192938D+01
               216           217           218           219           220 
      1   0.127874D+01  0.211234D+01  0.102568D+00 -0.155948D+01  0.389716D+00
      2   0.192938D+01  0.102568D+00  0.617496D+00  0.676979D-01  0.123510D+01
      3   0.109247D+01 -0.155948D+01  0.676979D-01  0.170160D+01  0.502805D-02
               221           222           223           224           225 
      1   0.123510D+01  0.502805D-02 -0.459523D+01  0.117305D+00  0.349969D+01
      2  -0.171843D+00 -0.428505D+00  0.117305D+00 -0.910369D+00 -0.544820D-01
      3  -0.428505D+00  0.974666D-01  0.349969D+01 -0.544820D-01 -0.609125D+01
               226           227           228           229           230 
      1   0.191410D+01 -0.171438D+01  0.872560D+00 -0.410104D+01  0.350261D+01
      2  -0.171438D+01  0.176313D+01 -0.550313D+00  0.350261D+01 -0.583459D+01
      3   0.872560D+00 -0.550313D+00  0.869571D+00 -0.114651D+01  0.209298D+01
               231           232           233           234           235 
      1  -0.114651D+01  0.202301D+01 -0.100770D+01  0.176322D+01  0.474451D+01
      2   0.209298D+01 -0.100770D+01  0.229077D+01 -0.138953D+01  0.251049D+01
      3  -0.160023D+01  0.176322D+01 -0.138953D+01  0.120962D+01  0.175156D+01
               236           237           238           239           240 
      1   0.251049D+01  0.175156D+01  0.616346D+01  0.385729D+01  0.176120D+01
      2   0.199149D+01  0.956264D+00  0.385729D+01  0.364881D+01  0.193341D+01
      3   0.956264D+00  0.135201D+01  0.176120D+01  0.193341D+01  0.166888D+01
               241           242           243           244           245 
      1   0.391379D+01  0.161715D+01  0.262106D+01  0.776976D-01 -0.821207D+00
      2   0.161715D+01  0.209555D+01  0.141965D+01 -0.821207D+00 -0.685892D+00
      3   0.262106D+01  0.141965D+01  0.166942D+01  0.121590D+01  0.246119D+00
               246           247           248           249           250 
      1   0.121590D+01 -0.124011D+01 -0.120992D+01  0.414315D+00  0.268205D+01
      2   0.246119D+00 -0.120992D+01 -0.978288D+00  0.114743D+01  0.449457D+00
      3  -0.113206D+01  0.414315D+00  0.114743D+01 -0.164626D+01 -0.185591D+01
               251           252           253           254           255 
      1   0.449457D+00 -0.185591D+01  0.858671D+01 -0.789109D+00 -0.205016D+01
      2   0.153859D+01 -0.143267D+01 -0.789109D+00 -0.358976D+01 -0.120344D+01
      3  -0.143267D+01  0.523164D+01 -0.205016D+01 -0.120344D+01 -0.173670D+01
               256           257           258           259           260 
      1  -0.455394D+01 -0.318351D+01 -0.157140D+01 -0.752567D+01 -0.191316D+01
      2  -0.318351D+01  0.535136D+01 -0.339402D+00 -0.191316D+01 -0.197162D+01
      3  -0.157140D+01 -0.339402D+00 -0.258057D+01 -0.232588D+01 -0.259266D+01
               261           262           263           264           265 
      1  -0.232588D+01 -0.140682D+01  0.177091D+01 -0.746064D+00  0.292609D+01
      2  -0.259266D+01  0.177091D+01 -0.201390D+01  0.539860D+00 -0.413119D+01
      3   0.262399D+01 -0.746064D+00  0.539860D+00 -0.538989D+00  0.108451D+01
               266           267           268           269           270 
      1  -0.413119D+01  0.108451D+01 -0.467768D-01 -0.269546D+00 -0.414223D+00
      2   0.967469D+01 -0.209268D+01 -0.269546D+00  0.425870D+00  0.716626D+00
      3  -0.209268D+01  0.175561D+01 -0.414223D+00  0.716626D+00 -0.825306D+00
               271           272           273           274           275 
      1  -0.468478D+00  0.384825D+00 -0.456140D+00  0.140230D+01  0.280780D+00
      2   0.384825D+00  0.501220D+00  0.222568D+00  0.280780D+00  0.269858D+00
      3  -0.456140D+00  0.222568D+00  0.423927D+00  0.383416D+00 -0.634589D+00
               276           277           278           279           280 
      1   0.383416D+00 -0.181690D+01 -0.231802D+00 -0.681490D+00 -0.161067D+02
      2  -0.634589D+00 -0.231802D+00 -0.120603D+01  0.363157D+00 -0.200896D+01
      3   0.135520D+01 -0.681490D+00  0.363157D+00 -0.607994D+01 -0.382063D+00
               281           282           283           284           285 
      1  -0.200896D+01 -0.382063D+00  0.821317D+00 -0.117349D+01  0.162772D+00
      2  -0.133826D+01 -0.196744D+00 -0.117349D+01 -0.658295D+00  0.736559D-01
      3  -0.196744D+00 -0.102200D+01  0.162772D+00  0.736559D-01  0.328645D+00
               286           287           288           289           290 
      1   0.223054D+01  0.493289D+00 -0.105647D+01 -0.228520D-01 -0.799081D+00
      2   0.493289D+00  0.545176D+00  0.741340D-01 -0.799081D+00  0.215045D+01
      3  -0.105647D+01  0.741340D-01  0.399426D-01  0.228475D+00  0.423484D+00
               291           292           293           294           295 
      1   0.228475D+00 -0.163768D+01 -0.434342D+00 -0.121351D+00  0.958397D+00
      2   0.423484D+00 -0.434342D+00 -0.956259D+01 -0.108190D+01  0.297364D+00
      3   0.467287D+00 -0.121351D+00 -0.108190D+01 -0.106145D+01  0.903396D-01
               296           297 
      1   0.297364D+00  0.903396D-01
      2   0.587517D+00 -0.776975D+00
      3  -0.776975D+00 -0.396842D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.311420D+00 -0.250577D+01  0.825939D+00 -0.719603D+01 -0.261615D+01
      2   0.508619D+01 -0.264877D+01  0.943511D+01 -0.313377D+01  0.180954D+01
      3   0.227879D+02 -0.309271D+01  0.325530D+01  0.722507D+01 -0.154796D+01
                 6             7             8             9            10 
      1  -0.216920D+01 -0.244890D+01  0.231998D+01 -0.197393D+00  0.294157D+00
      2  -0.332789D+01 -0.409974D+01 -0.138806D+01  0.269462D+01  0.103398D+01
      3   0.207416D+01  0.173567D+02  0.297854D+00  0.335068D+01 -0.370082D+02
                11            12            13            14            15 
      1   0.963775D-01  0.224755D+01  0.190887D+01  0.461537D+01 -0.901272D+01
      2   0.761114D+00 -0.436150D+01  0.554338D+01  0.330464D+00  0.449219D+00
      3  -0.656230D+00  0.905682D+00  0.123881D+02 -0.198052D+01 -0.222411D+00
                16            17            18            19            20 
      1  -0.272654D+01 -0.236883D+01 -0.452889D+01  0.824634D+00  0.186632D+01
      2  -0.283361D+02 -0.185829D+01 -0.295947D+01 -0.676162D+01 -0.112578D+01
      3  -0.248877D+01 -0.692895D+00 -0.291689D+01 -0.168032D+02 -0.228423D+00
                21            22            23            24            25 
      1  -0.163238D+01  0.560769D+01 -0.199418D+01 -0.331882D+01  0.421887D+01
      2   0.348828D+01 -0.464649D+01 -0.212524D+01  0.123002D+01  0.554990D+00
      3   0.268626D+01  0.532955D+01  0.189693D+01 -0.270540D+01  0.223260D+02
                26            27            28            29            30 
      1   0.185515D+01 -0.166992D+01 -0.940909D+00  0.180620D+01 -0.228881D+01
      2   0.136548D+00 -0.147322D+01  0.476548D+01  0.111393D+01 -0.362461D+01
      3  -0.255661D+01 -0.509884D+01  0.389841D+02 -0.165450D+01 -0.257228D+01
                31            32            33            34            35 
      1  -0.403163D+00  0.402573D+01 -0.985675D+01 -0.512635D+01 -0.159773D+01
      2   0.543628D+01 -0.188780D+00  0.209758D+01 -0.304578D+02  0.485511D+01
      3   0.967011D+01  0.530497D+01  0.989988D+00 -0.825877D+01 -0.118799D+01
                36            37            38            39            40 
      1  -0.318305D+01 -0.114026D+01 -0.134738D+01 -0.221746D+01 -0.591665D+01
      2   0.259599D+00  0.313636D+01 -0.296770D+01  0.819644D+01 -0.339690D+01
      3   0.184345D+01 -0.183235D+02 -0.613033D+00  0.344099D+01  0.148392D+02
                41            42            43            44            45 
      1   0.149696D+01  0.785195D+00 -0.780647D+00  0.361378D+01  0.216835D+01
      2   0.188794D+01 -0.153802D+01 -0.651733D+01 -0.123384D+01  0.166381D+01
      3  -0.837518D+00  0.289825D+01 -0.141714D+02  0.466223D+01  0.216660D+01
                46            47            48            49            50 
      1   0.117041D+00  0.148179D+01  0.352347D+01  0.861832D+01  0.147243D+01
      2  -0.421744D+01 -0.212643D+01  0.409989D+01 -0.445938D+01 -0.186960D+01
      3   0.161318D+02 -0.178490D+01 -0.154865D+01  0.152807D+02  0.134449D+01
                51            52            53            54            55 
      1  -0.247153D+01  0.292735D+01  0.391071D+01  0.678899D+00 -0.239303D+01
      2   0.891081D+00 -0.574489D+00  0.158747D+01 -0.217947D+01 -0.420302D+01
      3  -0.427863D+01 -0.130717D+02 -0.219000D+01 -0.605976D+00  0.199202D+02
                56            57            58            59            60 
      1  -0.215516D+00 -0.597663D+00 -0.642305D+00 -0.586461D+01 -0.757356D+00
      2   0.423896D+00 -0.936836D+00 -0.165759D+01 -0.114903D+02  0.174941D+01
      3   0.111056D+02  0.374481D+00  0.396833D+02  0.112363D+00  0.678358D+01
                61            62            63            64            65 
      1   0.716762D-01  0.416699D+01  0.447532D+01  0.269301D+01  0.114496D+01
      2  -0.227839D+02  0.856915D+00  0.215418D+02  0.396551D+01  0.156634D+01
      3   0.118517D+02  0.126447D+02  0.164551D+01 -0.220964D+02 -0.214614D+02
                66            67            68            69            70 
      1  -0.182299D+01 -0.117631D+00 -0.176093D+01 -0.190882D+01  0.409296D+00
      2   0.138042D+02  0.546084D+01  0.119503D+02 -0.231563D+00  0.144275D+02
      3  -0.190791D+01 -0.314479D+02  0.639603D+01 -0.101322D+02 -0.127611D+02
                71            72            73            74            75 
      1   0.467314D+01  0.478833D+01  0.159537D+01  0.228604D+01  0.511745D+01
      2   0.326573D+01 -0.355992D+02 -0.152794D+00 -0.427220D+01 -0.529085D+01
      3  -0.150247D+02 -0.245885D+01  0.280711D+02  0.423431D+01  0.115526D+01
                76            77            78            79            80 
      1   0.334557D+01  0.992988D+01  0.171423D+01  0.718868D+01  0.851554D+01
      2  -0.550114D+01 -0.115704D+02 -0.354005D+01 -0.122696D+02 -0.699392D+01
      3   0.113477D+02 -0.694552D+01  0.922131D+01  0.184710D+01  0.131802D+02
                81            82            83            84            85 
      1  -0.121524D+02 -0.344128D+00 -0.492364D+00  0.310562D+00 -0.438012D+00
      2   0.189472D+02 -0.555083D+01 -0.241685D+01 -0.156203D+02 -0.412287D+01
      3   0.315834D+01  0.880624D+01  0.192806D+02  0.306163D+01  0.407348D+02
                86            87            88            89            90 
      1   0.143192D+01 -0.244316D+01  0.891767D+00  0.646570D+00 -0.133492D+01
      2  -0.224082D+02 -0.459079D+00 -0.325188D+02 -0.109071D+01  0.270615D+02
      3  -0.134170D+02  0.234839D+02  0.525084D+01  0.234616D+02  0.142160D+01
                91            92            93            94            95 
      1   0.191283D+01 -0.110773D+01  0.172663D+01  0.111307D+01 -0.204307D+01
      2  -0.133719D+02  0.296331D+00 -0.216564D+01 -0.694291D+00 -0.533685D+01
      3  -0.897973D+01  0.263175D+01 -0.655071D+00  0.402968D+02 -0.206897D+02
                96            97            98            99           100 
      1  -0.174724D+01  0.130348D+01  0.596139D+01  0.589085D-03  0.154579D+01
      2  -0.106461D+02 -0.184989D+02 -0.104744D+02  0.112081D+02  0.561600D+01
      3  -0.954876D+00  0.284254D+01 -0.801287D+00  0.730821D+01  0.174869D+02
               101           102           103           104           105 
      1   0.184050D+01 -0.424739D+01  0.358639D+00 -0.112525D+01  0.210826D+01
      2  -0.421690D+01  0.728693D+01 -0.224938D+01  0.587992D+01  0.184913D+02
      3  -0.172932D+02  0.223214D+01 -0.703752D+01  0.447556D+01 -0.447522D+01
               106           107           108           109           110 
      1  -0.336230D+01 -0.277396D+01  0.446614D+01 -0.364790D+01 -0.244070D+01
      2  -0.274669D+01  0.144542D+02  0.937460D+01 -0.853729D+01  0.226365D+01
      3   0.150641D+02 -0.165761D+02 -0.112722D+02 -0.821972D+00 -0.625229D+00
               111           112           113           114           115 
      1   0.237720D+01 -0.206653D+01  0.426164D+01 -0.681035D+01  0.667328D+00
      2   0.494632D+01 -0.157913D+01 -0.108546D+02 -0.145217D+02  0.319315D+01
      3  -0.449447D+00 -0.742158D+01  0.191837D+02  0.128767D+02 -0.168732D+02
               116           117           118           119           120 
      1   0.740304D+01 -0.994270D+01  0.303615D+01  0.292147D-01  0.325158D+00
      2  -0.129649D+02 -0.318282D+02  0.413424D+01  0.822429D+00  0.192424D+01
      3   0.199045D+02  0.133212D+02 -0.463902D+01  0.598539D+01 -0.303140D+01
               121           122           123           124           125 
      1   0.320155D+00  0.324735D+01 -0.105003D+01 -0.154360D+01  0.682479D+01
      2   0.307998D+01  0.145801D+01 -0.664599D+00 -0.484481D+00 -0.449044D+01
      3   0.982717D+01 -0.223534D+02 -0.740380D+00  0.302969D+01 -0.430544D+01
               126           127           128           129           130 
      1   0.733048D+01 -0.200601D+01 -0.203801D+01  0.112113D+01 -0.243275D+00
      2   0.154725D+02  0.463999D+01  0.907535D+00 -0.972856D+00  0.362058D+00
      3   0.573556D+01 -0.266516D+00 -0.114188D+01  0.994702D+00  0.123130D+01
               131           132           133           134           135 
      1  -0.128082D+01 -0.193188D+00  0.290982D+01  0.528170D+01 -0.499930D+01
      2  -0.338528D-01  0.493748D+00 -0.479914D+01 -0.298954D+00 -0.180664D+01
      3  -0.587801D+00  0.499577D+00  0.121393D+01  0.224128D+01 -0.183745D+01
               136           137           138           139           140 
      1  -0.213019D+01  0.284505D+01 -0.798178D+00  0.129414D+01 -0.134528D+01
      2  -0.795458D+01  0.129778D+01 -0.138713D+01  0.177559D+01 -0.541465D+00
      3   0.670308D-01 -0.138453D+01  0.637632D+00  0.551491D+00  0.135653D+01
               141           142           143           144           145 
      1  -0.670897D+00 -0.196993D+01  0.409564D+01 -0.291158D+01  0.189713D+01
      2   0.131754D+00 -0.462517D+01  0.424042D+00  0.772658D+00  0.441947D+01
      3  -0.181033D+00  0.548997D+00 -0.234841D+01  0.154344D+01  0.266388D+01
               146           147           148           149           150 
      1  -0.876360D+00 -0.224330D+01  0.108836D+01  0.114861D+00 -0.357541D+01
      2   0.483770D+00 -0.892299D+00  0.717838D+00 -0.159184D+00  0.620450D+00
      3  -0.316421D-01 -0.195814D+01  0.167571D+01 -0.304781D+00 -0.598878D+00
               151           152           153           154           155 
      1  -0.186418D+01  0.217555D+01  0.578088D+01  0.268102D+01  0.120320D+01
      2  -0.423537D+01 -0.365798D+00 -0.105858D+01 -0.544511D+01  0.184263D+00
      3  -0.240661D+01  0.107802D+01  0.176151D+01 -0.498286D+01 -0.851974D+00
               156           157           158           159           160 
      1   0.233575D+01 -0.154550D+01  0.211203D+00 -0.373419D+01  0.255609D+01
      2  -0.194239D+00  0.102268D+01  0.191996D+00 -0.911666D+00 -0.299290D+01
      3  -0.232161D+01  0.415995D+01  0.614733D+00  0.730944D+00 -0.307004D+01
               161           162           163           164           165 
      1   0.145371D+01  0.435450D+01 -0.128483D+01 -0.652746D+00  0.114363D+01
      2  -0.220640D+00  0.218402D+01 -0.541855D+01  0.743208D+00  0.587885D+01
      3  -0.126909D+01 -0.200569D+01 -0.175740D+01 -0.365846D+01  0.555864D+00
               166           167           168           169           170 
      1   0.223092D+00 -0.301252D+00 -0.100335D+01  0.221119D+01  0.220125D+01
      2   0.531149D+00 -0.112724D+01  0.813980D+00  0.268879D+01 -0.422556D+01
      3  -0.348255D+01  0.282416D+00  0.169141D+01  0.320172D+01  0.410450D+01
               171           172           173           174           175 
      1  -0.628258D+01  0.935519D+00 -0.102341D+01  0.141322D+01 -0.163760D+01
      2  -0.207374D+02  0.518481D+01 -0.158950D+01  0.331480D+01 -0.302217D+01
      3   0.389671D+00  0.105768D+01 -0.770046D+01 -0.194128D+00 -0.466559D+01
               176           177           178           179           180 
      1   0.343060D+01 -0.346582D+01  0.170757D+01 -0.126019D+01  0.126487D+01
      2   0.611345D+01 -0.370869D+01  0.387545D+01 -0.437885D+01  0.966260D+00
      3   0.180604D+02 -0.216813D+01 -0.394295D+01 -0.730041D+01  0.199961D+01
               181           182           183           184           185 
      1  -0.271838D+01 -0.166300D+01  0.913581D+00 -0.117058D+01 -0.334569D+00
      2   0.800594D+01  0.810831D+00 -0.486010D+01  0.219192D+01  0.335300D+01
      3   0.263166D+01  0.271889D+01  0.401238D+00  0.546250D+01 -0.804909D+00
               186           187           188           189           190 
      1  -0.702915D+00  0.159086D+01  0.353314D+01 -0.424071D+01  0.770077D+00
      2  -0.505752D+00 -0.905604D+01 -0.862296D+00  0.305230D+02 -0.213784D+01
      3  -0.242090D+01  0.210631D+00 -0.361006D+01 -0.493686D+00 -0.271814D+02
               191           192           193           194           195 
      1   0.604752D+00  0.223384D+01  0.461230D-01 -0.793720D+00 -0.111775D+01
      2   0.500675D+00 -0.132919D+00  0.340617D+00  0.793180D+00  0.201262D+00
      3   0.639298D+01  0.442676D+00  0.630160D+01 -0.382871D+01 -0.116396D+01
               196           197           198           199           200 
      1   0.234511D+01  0.615727D+00  0.771806D+00  0.239419D+01 -0.324638D-01
      2  -0.341830D+01  0.120119D+01 -0.112976D+01 -0.340089D+01 -0.120894D+01
      3   0.761873D+00 -0.224485D+01 -0.284942D+01 -0.249048D+01 -0.338305D+01
               201           202           203           204           205 
      1  -0.317881D+01  0.242023D+00  0.113875D+01 -0.214119D+01 -0.319522D+01
      2   0.534322D+01 -0.213392D+00 -0.187950D+01  0.935680D+00  0.913795D+00
      3  -0.312486D+00 -0.448810D+00 -0.166217D+01  0.186146D+01 -0.211385D+01
               206           207           208           209           210 
      1  -0.197904D+00  0.154053D+02 -0.260457D+01 -0.226122D+01 -0.387072D+01
      2   0.619058D+01 -0.227157D+02  0.346177D+01  0.313652D+01  0.461885D+01
      3   0.697134D+01 -0.504106D+01 -0.509385D+01 -0.957656D+01 -0.793298D+00
               211           212           213           214           215 
      1  -0.358709D+01 -0.578717D+01 -0.601885D+01 -0.359481D+01 -0.356905D+01
      2   0.325805D+01  0.765835D+01  0.594358D+01  0.361557D+01  0.703069D+01
      3  -0.350479D+01 -0.197374D+02 -0.500726D+01 -0.122058D+01 -0.108198D+02
               216           217           218           219           220 
      1  -0.349087D+01  0.351518D+00 -0.428904D+00 -0.912461D-01  0.207450D+00
      2   0.417651D+01 -0.944384D+01  0.268151D+00  0.114575D+02 -0.606635D-01
      3  -0.467599D+01 -0.408971D+00 -0.449358D+01 -0.423014D+00 -0.509936D+01
               221           222           223           224           225 
      1   0.566506D-01 -0.882506D+00 -0.802347D+00  0.259762D+01  0.115319D+01
      2  -0.231972D+01  0.444093D+00  0.167230D+02 -0.237002D+00 -0.361909D+02
      3   0.101462D+01  0.193428D+01 -0.922709D+00  0.610793D+01  0.504242D-01
               226           227           228           229           230 
      1  -0.858193D+00  0.863723D+00  0.415032D+00  0.104709D+01 -0.291702D+01
      2   0.428885D+01 -0.257223D+01  0.545092D+01 -0.432587D+01  0.110893D+02
      3   0.931536D+01 -0.111621D+02  0.318848D+01 -0.156913D+02  0.334147D+02
               231           232           233           234           235 
      1  -0.153055D+01 -0.402272D+00  0.207957D+01  0.124289D+00  0.405285D+00
      2  -0.996117D+01  0.735228D+01 -0.746581D+01  0.616513D+01  0.791535D+01
      3  -0.116958D+02  0.495184D+01 -0.134200D+02  0.735282D+01 -0.122689D+02
               236           237           238           239           240 
      1   0.930114D+00 -0.943623D+00  0.434222D+00  0.138642D+01 -0.161578D+01
      2   0.444927D+01  0.930656D+01  0.727513D+01  0.985895D+01  0.101802D+02
      3  -0.132289D+02 -0.516748D+01 -0.180748D+02 -0.212325D+02 -0.107266D+02
               241           242           243           244           245 
      1  -0.653640D+00  0.161032D+01 -0.727122D+00  0.729994D-01 -0.459653D+00
      2   0.118333D+02  0.741529D+01  0.879593D+01 -0.520298D+01 -0.589083D+00
      3  -0.771141D+01 -0.126687D+02 -0.754048D+01 -0.316552D+01 -0.240123D+01
               246           247           248           249           250 
      1  -0.660893D+00 -0.168991D+00  0.284859D+00 -0.183310D+01 -0.495529D+00
      2   0.397930D+01 -0.201335D+00 -0.294064D+01  0.572888D+01  0.119641D+01
      3   0.168663D+00 -0.113339D+01 -0.229972D+01  0.309883D+01 -0.726996D+00
               251           252           253           254           255 
      1   0.222329D+01  0.261425D+01 -0.200210D+01  0.793327D+00 -0.251665D+01
      2   0.463399D+01 -0.168458D+02  0.199500D+02  0.554786D+01  0.906796D+01
      3   0.463366D+01 -0.355472D+01 -0.166000D+02 -0.141898D+02 -0.123045D+01
               256           257           258           259           260 
      1  -0.153620D+01 -0.628748D+01 -0.619561D+01 -0.140821D+01 -0.140589D+01
      2   0.532787D+01 -0.478432D+00  0.910485D+01  0.676953D+01  0.101612D+02
      3  -0.491282D+01  0.256896D+02  0.151924D+01  0.997521D+00 -0.246439D+01
               261           262           263           264           265 
      1   0.817519D+01  0.125584D+00  0.462093D+00  0.109401D+01  0.533978D+00
      2  -0.153055D+02  0.171097D+01 -0.119713D+01  0.191143D+01 -0.246048D+01
      3  -0.711457D+01  0.375814D+01 -0.497131D+01  0.169248D+01 -0.942294D+01
               266           267           268           269           270 
      1  -0.326118D+01 -0.386718D+01 -0.457759D+00  0.622009D+00 -0.457783D+00
      2   0.598883D+01 -0.647757D+01  0.662851D+00 -0.184404D+01  0.225793D+01
      3   0.317905D+02 -0.678793D+01 -0.738966D+00  0.170966D+01  0.225089D+01
               271           272           273           274           275 
      1  -0.186159D+01 -0.773834D+00  0.484006D+00 -0.124722D+00 -0.258938D+01
      2   0.446588D+01  0.177859D+00 -0.237168D+01  0.130269D+01  0.332695D+01
      3   0.222171D+01  0.106571D+01  0.101274D+01  0.670643D+00  0.935866D+00
               276           277           278           279           280 
      1   0.220271D+01 -0.173835D+00  0.480434D+01 -0.107080D+02  0.883864D+00
      2  -0.582921D+01 -0.242823D+01 -0.256049D+01  0.246635D+02 -0.928581D+01
      3  -0.277489D+01  0.114531D+01 -0.439324D+01  0.291380D+01  0.150613D+02
               281           282           283           284           285 
      1   0.771620D+00 -0.200727D+01  0.986098D+00  0.562904D+00  0.335480D-01
      2  -0.290127D+00  0.796341D+01 -0.946020D+00 -0.102331D+01 -0.105735D+01
      3  -0.625399D+01 -0.691181D+00 -0.449225D+01 -0.102594D+01  0.244933D+00
               286           287           288           289           290 
      1  -0.190946D+01  0.837847D+00 -0.166372D+00  0.108451D+01 -0.706222D+00
      2   0.432287D+01 -0.597022D+00 -0.310114D+00 -0.846114D+00 -0.212810D+01
      3  -0.132902D+01  0.160070D+01  0.197256D+01 -0.480938D+01  0.794927D+01
               291           292           293           294           295 
      1   0.150925D+01 -0.430815D+00  0.622886D+01 -0.379181D+01  0.648827D+00
      2  -0.162110D+01 -0.955190D+00  0.465716D+01  0.387326D+01 -0.161062D+01
      3   0.643761D+00  0.448397D+01 -0.338830D+02 -0.301519D+01 -0.792429D+00
               296           297 
      1  -0.374766D+00 -0.152211D+00
      2   0.260329D+01  0.155240D+01
      3   0.127596D+01 -0.272008D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.190683D+01 -0.804604D+01  0.213860D+02  0.194466D+02 -0.308999D+01
      2   0.644550D+01  0.354031D+01 -0.782943D+01 -0.503854D+01  0.405914D+01
      3  -0.453868D+01  0.450573D+01 -0.135566D+02 -0.144081D+02 -0.969153D+00
      4  -0.352108D+01  0.427210D+01 -0.917695D+00  0.101395D+02  0.453913D+01
      5   0.166773D+02  0.103579D+01 -0.791961D+01 -0.422246D+01 -0.258492D+01
      6   0.153135D+01 -0.383883D+01 -0.164855D+01 -0.796680D+00  0.402355D+01
                 6             7             8             9            10 
      1  -0.165047D+02 -0.275537D+02 -0.104940D+02  0.368255D+01  0.578027D+02
      2   0.132286D+01  0.399336D+01  0.174360D+01  0.502073D+01 -0.224095D+02
      3   0.151818D+02  0.235603D+02  0.875044D+01 -0.870328D+01 -0.353932D+02
      4  -0.384140D+01  0.296470D+01 -0.258510D+01 -0.531366D+01 -0.120721D+02
      5  -0.388967D+01  0.749788D+01 -0.448159D+01  0.665684D+01 -0.272638D+01
      6   0.127558D+02 -0.620975D+01  0.658282D+01  0.145245D+02  0.522353D+00
                11            12            13            14            15 
      1   0.829276D+01 -0.523212D-01  0.109552D+02 -0.745104D+00  0.531432D+01
      2  -0.729136D+01  0.299387D+01 -0.112993D+02  0.665750D+01 -0.104583D+01
      3  -0.100139D+01 -0.294155D+01  0.344153D+00 -0.591239D+01 -0.426849D+01
      4   0.995750D+00 -0.405100D+01  0.175253D+02 -0.526554D+01 -0.124533D+01
      5  -0.460279D+01  0.716984D+01  0.999281D+01 -0.469083D+00 -0.235463D+01
      6   0.122029D+00 -0.701950D+01 -0.491635D+01  0.373190D+01  0.856414D+01
                16            17            18            19            20 
      1  -0.894156D+01  0.669322D+01 -0.162528D+02 -0.243201D+01  0.502941D+01
      2   0.124439D+00  0.477774D+01  0.419531D+00 -0.514006D+00 -0.238142D+01
      3   0.881712D+01 -0.114710D+02  0.158333D+02  0.294601D+01 -0.264799D+01
      4   0.151547D+02  0.230101D+00 -0.294944D+00  0.486530D+01 -0.136011D+01
      5  -0.129014D+02 -0.168716D+01 -0.469520D+01 -0.143086D+02  0.246986D+01
      6  -0.497815D+01  0.556470D+00 -0.478280D+01  0.166793D+01  0.549801D+01
                21            22            23            24            25 
      1  -0.265098D+02 -0.121634D+02 -0.459562D+01 -0.686619D+01  0.271580D+02
      2   0.662999D+01 -0.136432D+01  0.570647D+01  0.488209D+00 -0.253054D+01
      3   0.198798D+02  0.135277D+02 -0.111085D+01  0.637798D+01 -0.246274D+02
      4   0.255688D+01  0.443869D+01 -0.220764D+01  0.344201D+01  0.357471D+01
      5  -0.366578D+01  0.640590D+00  0.196319D+01  0.669621D+01  0.907138D+01
      6   0.697536D+01  0.113005D+01  0.320072D+01  0.839199D+01  0.117561D+02
                26            27            28            29            30 
      1  -0.871099D+01  0.706404D+01  0.257407D+02 -0.515109D+01  0.302619D+01
      2   0.146931D+01 -0.998049D+00 -0.788284D+01  0.798973D+01  0.599413D+00
      3   0.724168D+01 -0.606599D+01 -0.178578D+02 -0.283864D+01 -0.362560D+01
      4   0.503582D+01  0.726045D+01  0.173043D+02  0.402080D+01 -0.186064D+01
      5   0.597784D+01 -0.425642D+01  0.264538D+01 -0.128443D+01  0.865141D+01
      6   0.300900D+01  0.111071D+02  0.571884D+01 -0.105597D+01  0.577326D+01
                31            32            33            34            35 
      1  -0.302126D+01 -0.176547D+01  0.801308D+01 -0.814904D+01  0.898792D+01
      2   0.826773D+01  0.535179D+01 -0.256069D+01  0.243761D+01  0.337947D+01
      3  -0.524647D+01 -0.358631D+01 -0.545239D+01  0.571144D+01 -0.123674D+02
      4   0.159080D+02  0.289614D+00  0.167020D+01  0.112612D+02  0.582562D+01
      5   0.133590D+02 -0.296930D+00  0.223177D+01 -0.160878D+02  0.401192D+01
      6  -0.181108D+01  0.334293D+01  0.689033D+01 -0.800484D+00  0.460211D+00
                36            37            38            39            40 
      1  -0.189521D+02  0.961276D+01 -0.124742D+02  0.244469D+02  0.639723D+01
      2   0.298419D+01  0.239537D+00  0.120756D+02 -0.126535D+02  0.318912D+01
      3   0.159679D+02 -0.985230D+01  0.398618D+00 -0.117934D+02 -0.958635D+01
      4   0.146894D+01 -0.806328D+01 -0.903168D+00  0.342935D+01  0.162498D+02
      5  -0.978028D+00  0.147197D+02  0.156535D+01 -0.976136D+01  0.115602D+01
      6  -0.705041D+01 -0.189191D+01 -0.624481D+01  0.562738D+01  0.281654D+00
                41            42            43            44            45 
      1  -0.123696D+02 -0.488400D+01 -0.222986D+02 -0.365140D+01  0.869295D+01
      2   0.188461D+02 -0.112559D+02  0.251528D+01 -0.403928D+01 -0.149177D+01
      3  -0.647648D+01  0.161399D+02  0.197833D+02  0.769068D+01 -0.720118D+01
      4   0.735306D+01 -0.236226D+01 -0.205950D+01 -0.373587D+01 -0.680516D+01
      5  -0.123385D+01 -0.290869D+01  0.101100D+02 -0.722314D+01  0.721696D+01
      6  -0.732165D+01  0.654803D+01 -0.123099D+02  0.170015D+01  0.876261D+01
                46            47            48            49            50 
      1  -0.884105D+01  0.108314D+02 -0.263657D+02 -0.715668D+01 -0.167804D+02
      2   0.316252D+01 -0.105463D+02  0.943734D+01 -0.467270D+01  0.229426D+02
      3   0.567853D+01 -0.285125D+00  0.169284D+02  0.118294D+02 -0.616222D+01
      4   0.871588D+01  0.630400D-01  0.616158D+01  0.516101D+01 -0.646512D+01
      5  -0.149264D+02  0.567864D+01 -0.313500D+01  0.611741D+01  0.187474D+01
      6   0.484663D+01  0.639574D+01 -0.474296D+01 -0.231500D+00 -0.661706D+01
                51            52            53            54            55 
      1   0.322720D+01  0.403367D+02 -0.332220D+01  0.808318D+01 -0.456006D+02
      2  -0.110766D+02 -0.105949D+02 -0.144977D+01 -0.419250D+01  0.149145D+02
      3   0.784940D+01 -0.297419D+02  0.477196D+01 -0.389068D+01  0.306860D+02
      4   0.136200D+01 -0.347910D+01  0.539426D+00  0.679553D+01  0.441743D+01
      5   0.582280D+01  0.362278D+01  0.690905D+01 -0.705327D+01 -0.275163D+01
      6   0.400610D+01  0.115997D+02 -0.240508D+01  0.773899D+01  0.257176D+01
                56            57            58            59            60 
      1  -0.768800D+01 -0.264605D+01 -0.469602D+02 -0.324116D+02 -0.448399D+01
      2   0.543184D+01 -0.206798D+01  0.316228D+02  0.481240D+01  0.526372D+01
      3   0.225616D+01  0.471403D+01  0.153374D+02  0.275992D+02 -0.779723D+00
      4  -0.269591D+02  0.513644D-01 -0.559787D+02  0.266603D+02 -0.136604D+02
      5  -0.315012D+00 -0.117816D+02 -0.485481D+01 -0.142461D+02  0.569057D+00
      6   0.436247D+00  0.156249D+01 -0.208573D+01  0.498855D+01 -0.353716D+00
                61            62            63            64            65 
      1  -0.341868D+02 -0.786843D+01 -0.871854D+01 -0.578696D+02  0.142440D+02
      2   0.521598D+01  0.677870D+01  0.125222D+02  0.368657D+02 -0.169427D+01
      3   0.289709D+02  0.108973D+01 -0.380369D+01  0.210039D+02 -0.125497D+02
      4  -0.576582D+01 -0.242550D+02  0.826075D+01  0.162056D+02  0.314466D+02
      5  -0.270222D+02  0.540909D+01  0.407677D+02 -0.368375D+01  0.334259D+01
      6   0.429777D+01 -0.231729D+01 -0.671709D+01  0.799041D+00 -0.280095D+01
                66            67            68            69            70 
      1  -0.401717D+01  0.601280D+02  0.551728D+02 -0.620763D+00  0.219823D+02
      2  -0.704473D+00 -0.254730D+02 -0.299934D+02  0.277726D+01 -0.776179D+01
      3   0.472165D+01 -0.346550D+02 -0.251794D+02 -0.215650D+01 -0.142205D+02
      4   0.274765D+01  0.524590D+02 -0.147456D+02  0.183694D+02  0.706490D+01
      5   0.194464D+02  0.866402D+01  0.210216D+02  0.207733D+01  0.402660D+02
      6   0.391486D+01  0.381197D+01  0.541023D+01 -0.118448D+01  0.341719D+01
                71            72            73            74            75 
      1   0.151750D+01  0.374403D+02  0.562295D+02 -0.761692D+01 -0.616223D+01
      2   0.469811D+01 -0.110142D+02 -0.385340D+02 -0.798664D+01 -0.128808D+01
      3  -0.621562D+01 -0.264261D+02 -0.176955D+02  0.156036D+02  0.745031D+01
      4   0.237325D+02  0.501854D+01 -0.484003D+01 -0.315573D+02 -0.796624D+01
      5   0.397238D+01 -0.597800D+02 -0.559157D+01 -0.625588D+01 -0.136331D+02
      6   0.550152D+01 -0.760931D+01 -0.696431D+01 -0.244386D+01 -0.101065D+02
                76            77            78            79            80 
      1  -0.919897D+01 -0.336155D+02  0.427159D+01 -0.124549D+02  0.344779D+01
      2  -0.892814D+01  0.123748D+02 -0.131110D+02 -0.218344D+01 -0.164597D+02
      3   0.181271D+02  0.212407D+02  0.883941D+01  0.146383D+02  0.130119D+02
      4  -0.380233D+02 -0.145363D+02 -0.224364D+02 -0.798502D+01 -0.330111D+02
      5  -0.658651D+01 -0.221103D+02 -0.706229D+01 -0.224226D+02 -0.153914D+02
      6  -0.574821D+01 -0.182540D+02 -0.378458D+01 -0.116636D+02 -0.932949D+01
                81            82            83            84            85 
      1  -0.963148D+01  0.661548D+02 -0.176809D+02 -0.322000D+01 -0.330684D+02
      2   0.906731D+01 -0.354905D+02  0.804782D+01  0.163349D+00  0.148016D+02
      3   0.564169D+00 -0.306643D+02  0.963307D+01  0.305665D+01  0.182668D+02
      4  -0.206823D+02 -0.210394D+02 -0.405749D+02 -0.632773D+01 -0.661906D+02
      5   0.421454D+02 -0.687655D+01 -0.690814D+01 -0.335165D+02 -0.115633D+02
      6   0.209275D+02 -0.187873D+01 -0.535892D+01 -0.223790D+01 -0.105905D+02
                86            87            88            89            90 
      1  -0.580766D+02 -0.634655D+01 -0.151955D+02 -0.614692D+01 -0.482047D+02
      2   0.290764D+02  0.177116D+01  0.378964D+01  0.159972D+01  0.263518D+02
      3   0.290002D+02  0.457539D+01  0.114059D+02  0.454719D+01  0.218530D+02
      4   0.216215D+02 -0.443321D+02 -0.109226D+02 -0.429871D+02 -0.447911D+01
      5  -0.479590D+02 -0.324819D+01 -0.576734D+02 -0.312075D+01  0.505117D+02
      6  -0.936904D-02 -0.559271D+01 -0.411156D+01 -0.621181D+01  0.177116D+01
                91            92            93            94            95 
      1   0.665797D+00 -0.742984D+00 -0.683854D+01 -0.438536D+01 -0.203334D+02
      2  -0.454997D+01 -0.234121D+01  0.972727D+00  0.825997D+01  0.862562D+01
      3   0.388418D+01  0.308419D+01  0.586581D+01 -0.387461D+01  0.117078D+02
      4  -0.144706D+02 -0.204853D+02 -0.509845D+01 -0.469447D+02  0.225898D+02
      5  -0.200610D+02 -0.332005D+01 -0.126644D+02 -0.138493D+02 -0.818573D+01
      6  -0.184987D+01 -0.742719D+01 -0.758683D+01 -0.276940D+01  0.285631D+01
                96            97            98            99           100 
      1  -0.821419D+01 -0.213303D+02 -0.891659D+01 -0.553247D+01  0.763725D+01
      2   0.476454D+01  0.444836D+01 -0.133065D+01  0.640054D+01 -0.189770D+01
      3   0.344965D+01  0.168819D+02  0.102472D+02 -0.868075D+00 -0.573954D+01
      4  -0.807437D+01 -0.236283D+02 -0.857743D+01 -0.244563D+02  0.987337D+01
      5  -0.214098D+02 -0.224634D+02 -0.232273D+02  0.211236D+02  0.141706D+02
      6  -0.454019D+01 -0.111428D+02 -0.603554D+01  0.771910D+01 -0.655200D+01
               101           102           103           104           105 
      1   0.244608D+01  0.445106D+01  0.167483D+02  0.692375D+01  0.387809D+00
      2  -0.979398D+00 -0.304976D+01 -0.171124D+02  0.174358D+01  0.402954D+01
      3  -0.146669D+01 -0.140130D+01  0.364075D+00 -0.866733D+01 -0.441734D+01
      4   0.413345D+01 -0.498797D+01  0.387050D+01 -0.200658D+02  0.108106D+02
      5  -0.661679D+01 -0.496052D+01 -0.152514D+02  0.131603D+02  0.356534D+02
      6   0.531257D+01  0.806608D+01  0.731637D+01 -0.128468D+02 -0.191775D+02
               106           107           108           109           110 
      1   0.203955D+02 -0.233551D+01 -0.184322D+01  0.221064D+02 -0.149931D+02
      2  -0.158819D+01 -0.962137D+01  0.434849D+01 -0.134257D+02  0.704509D+01
      3  -0.188073D+02  0.119569D+02 -0.250527D+01 -0.868066D+01  0.794796D+01
      4  -0.172934D+02  0.346617D+02  0.277833D+02 -0.213132D+02  0.172662D+02
      5  -0.236182D+02  0.287946D+02  0.191128D+02 -0.318374D+02  0.998741D+01
      6   0.157441D+02 -0.225474D+02 -0.121683D+02  0.119813D+02 -0.358936D+01
               111           112           113           114           115 
      1  -0.232395D+02 -0.167146D+02 -0.619935D+01 -0.574080D+01 -0.330555D+02
      2   0.151046D+02  0.564523D+01  0.153552D+02  0.357787D+01  0.188553D+02
      3   0.813498D+01  0.110694D+02 -0.915589D+01  0.216293D+01  0.142003D+02
      4   0.126811D+02  0.297389D+02 -0.324338D+02 -0.253106D+02  0.293488D+02
      5   0.228455D+02  0.209657D+02 -0.277365D+02 -0.299437D+02  0.415152D+02
      6  -0.561032D+01 -0.952943D+01  0.253264D+02  0.266078D+02 -0.168398D+02
               116           117           118           119           120 
      1  -0.297761D+01 -0.342336D+01  0.830213D+01 -0.443157D+01  0.126049D+02
      2   0.677474D+01 -0.163356D+02 -0.770207D+01  0.936087D+01 -0.866497D+01
      3  -0.379713D+01  0.197590D+02 -0.600062D+00 -0.492929D+01 -0.393995D+01
      4  -0.362746D+02 -0.282480D+02  0.996792D+00 -0.999907D+01 -0.238755D+01
      5  -0.315379D+02 -0.697596D+02  0.108906D+02  0.201509D+01  0.736820D+01
      6   0.285212D+02  0.362939D+02 -0.369607D+01 -0.239503D+01 -0.147025D+01
               121           122           123           124           125 
      1   0.911369D-01 -0.592131D+01  0.409986D+01  0.189713D+02  0.135546D+01
      2   0.117808D+02 -0.182938D+02  0.379632D-01 -0.115859D+02 -0.608683D+00
      3  -0.118720D+02  0.242152D+02 -0.413783D+01 -0.738547D+01 -0.746776D+00
      4  -0.225007D+02  0.540780D+02 -0.126294D+01 -0.803309D+01  0.643844D+01
      5   0.378043D+01 -0.169538D+01 -0.201128D+01  0.178674D+02 -0.118455D+02
      6  -0.515929D+01  0.469529D+01  0.687186D+01 -0.453154D+01  0.131884D+02
               126           127           128           129           130 
      1  -0.796978D+00 -0.949062D+00 -0.954287D-01  0.359723D+01 -0.281658D+01
      2  -0.794495D+01 -0.558939D+01 -0.132910D+01  0.580402D+01 -0.425429D+00
      3   0.874193D+01  0.653845D+01  0.142452D+01 -0.940125D+01  0.324201D+01
      4  -0.111174D+02  0.915094D+00  0.259994D+01 -0.803339D+00  0.113355D+01
      5   0.316321D+02 -0.988433D+01 -0.264298D+01  0.127751D+02 -0.280847D+01
      6  -0.172306D+02  0.350596D+00 -0.154684D+01 -0.646687D+00 -0.104299D+01
               131           132           133           134           135 
      1  -0.346007D+01  0.804567D+01  0.431454D+01  0.491753D+01 -0.247361D+02
      2  -0.406349D+00  0.327313D+01  0.714422D+01  0.204559D+01 -0.150606D+02
      3   0.386642D+01 -0.113188D+02 -0.114588D+02 -0.696312D+01  0.397967D+02
      4   0.122557D+01 -0.140471D+01 -0.175177D+01 -0.301360D+01  0.185047D+01
      5  -0.273275D+01  0.452743D+01  0.124565D+02  0.415645D+01 -0.200897D+02
      6  -0.284529D+01  0.197064D+01  0.892907D+00  0.523409D+01 -0.251100D+01
               136           137           138           139           140 
      1   0.319949D+01  0.258791D+00 -0.102242D+01  0.480491D+00 -0.167953D+01
      2  -0.601693D+01  0.982132D+00 -0.481036D+01  0.220441D+01 -0.420074D+00
      3   0.281744D+01 -0.124092D+01  0.583278D+01 -0.268490D+01  0.209961D+01
      4  -0.154177D+01  0.355072D+01 -0.115624D+01  0.276515D+01 -0.327550D+01
      5   0.124003D+02 -0.292419D+01  0.107948D+02 -0.456970D+01  0.324270D+01
      6  -0.645519D+00  0.154620D+01 -0.897625D+00  0.951732D+00 -0.279060D+01
               141           142           143           144           145 
      1   0.524749D+01 -0.420046D+01  0.404517D+01 -0.136902D+02 -0.282065D+01
      2   0.263994D+01 -0.598836D+01  0.127086D+01 -0.945316D+01 -0.279446D+01
      3  -0.788743D+01  0.101888D+02 -0.531603D+01  0.231434D+02  0.561511D+01
      4   0.135635D+01 -0.179398D+01  0.286848D+01 -0.229216D+01  0.569883D+01
      5  -0.659719D+01  0.133313D+02 -0.438737D+01  0.172247D+02 -0.947912D+01
      6   0.221430D+01 -0.175047D+01  0.467709D+01 -0.363026D+01 -0.613672D+01
               146           147           148           149           150 
      1  -0.186332D+01  0.556446D+01 -0.294342D+01 -0.466586D+01  0.874005D+01
      2   0.256210D+00  0.279368D+01 -0.523341D+00  0.752487D+00  0.618944D+00
      3   0.160711D+01 -0.835814D+01  0.346676D+01  0.391338D+01 -0.935899D+01
      4   0.387810D+01 -0.562833D+01  0.246477D+01  0.169115D+01 -0.298898D+01
      5  -0.371466D+01  0.122151D+02 -0.371019D+01 -0.271187D+01  0.446814D+01
      6  -0.359428D+01  0.660440D+01 -0.322417D+01 -0.514562D+01  0.872479D+01
               151           152           153           154           155 
      1   0.819019D+01  0.112243D+02 -0.300098D+02  0.216400D+01  0.245589D+01
      2   0.197748D+01 -0.286233D+01 -0.523605D+01 -0.326260D+01 -0.191405D+01
      3  -0.101677D+02 -0.836195D+01  0.352459D+02  0.109860D+01 -0.541845D+00
      4  -0.573038D+01 -0.560045D+01  0.835470D+01 -0.105626D+02  0.745360D+01
      5   0.109846D+02  0.563892D+01 -0.180161D+02  0.157171D+02 -0.607915D+01
      6   0.882069D+01  0.129209D+02 -0.238715D+02 -0.910165D+01  0.575079D+01
               156           157           158           159           160 
      1  -0.218182D+01  0.434858D+00 -0.372717D+01  0.555007D+01 -0.488531D+01
      2  -0.229121D+01  0.109307D+01  0.162647D+01  0.241990D+00 -0.256570D+01
      3   0.447303D+01 -0.152792D+01  0.210071D+01 -0.579206D+01  0.745101D+01
      4  -0.842661D+01  0.486355D+01 -0.518402D+01  0.582243D+01 -0.883461D+01
      5   0.145993D+02 -0.764000D+01  0.499166D+01 -0.792403D+01  0.156900D+02
      6  -0.907766D+01  0.560059D+01 -0.597317D+01  0.852493D+01 -0.108885D+02
               161           162           163           164           165 
      1   0.838445D+01 -0.168968D+02  0.891173D+01  0.521123D-01 -0.770227D+01
      2  -0.332973D+01 -0.291019D+01 -0.829229D+01 -0.373489D+00  0.670171D+01
      3  -0.505472D+01  0.198070D+02 -0.619438D+00  0.321377D+00  0.100057D+01
      4   0.737332D+01 -0.110605D+02 -0.228830D+01  0.746080D+01  0.437264D+01
      5  -0.799239D+01  0.212892D+02 -0.143364D+02  0.298493D+01  0.156175D+02
      6   0.119060D+02 -0.192023D+02  0.223247D+01 -0.143645D+01 -0.217611D+01
               166           167           168           169           170 
      1   0.887041D+01  0.181842D+01 -0.205810D+01 -0.152506D+02 -0.286511D+01
      2  -0.557064D+01 -0.525406D+00  0.142979D+01  0.139607D+02  0.268399D+00
      3  -0.329976D+01 -0.129302D+01  0.628303D+00  0.128984D+01  0.259671D+01
      4   0.773200D+01 -0.405064D+01 -0.452473D+01  0.644563D+01 -0.866403D+01
      5  -0.718746D+00 -0.477051D+01  0.162819D+01  0.233411D+02 -0.902568D+01
      6  -0.170653D+01  0.140491D+01  0.536786D+01 -0.550835D+01  0.643321D+01
               171           172           173           174           175 
      1  -0.433145D+01  0.232230D+02 -0.955720D+01  0.401946D+01 -0.153806D+02
      2  -0.137887D+02 -0.470575D+01 -0.821015D-01 -0.956703D+00 -0.305262D+01
      3   0.181202D+02 -0.185172D+02  0.963930D+01 -0.306276D+01  0.184332D+02
      4  -0.118709D+02 -0.228651D+02  0.254800D+02 -0.196374D+01  0.378364D+02
      5  -0.454343D+02  0.526240D+01 -0.813059D+00  0.515262D+01 -0.183582D+01
      6   0.120803D+02 -0.144263D+01  0.638717D-01 -0.112627D+01  0.119360D+01
               176           177           178           179           180 
      1   0.108557D+01  0.294723D+00  0.216796D+02  0.657125D+00  0.167989D+01
      2   0.209403D+02 -0.276365D+01 -0.651900D+01 -0.433881D+01 -0.225565D+00
      3  -0.220259D+02  0.246893D+01 -0.151606D+02  0.368168D+01 -0.145432D+01
      4  -0.527395D+02  0.699659D+01 -0.107771D+02  0.174228D+02 -0.945483D+01
      5   0.645176D+01 -0.578682D+01  0.976644D+01 -0.827550D+01  0.276847D+01
      6  -0.207403D+01  0.465547D+01 -0.395688D+01  0.585652D+01 -0.241635D+01
               181           182           183           184           185 
      1  -0.164827D+01 -0.266850D+01  0.111248D+02 -0.926877D+01 -0.118240D+02
      2  -0.295475D+01  0.315254D+00 -0.293133D+01  0.405798D+01  0.557410D+01
      3   0.460303D+01  0.235324D+01 -0.819345D+01  0.521079D+01  0.624987D+01
      4  -0.465462D+01 -0.423874D+01  0.203949D+00 -0.301552D+01  0.115886D+01
      5   0.706153D+01 -0.229676D+00 -0.255089D+01  0.982398D+00  0.379990D+01
      6   0.137067D+01  0.229918D+00 -0.179093D+01 -0.607049D+00  0.105099D+00
               186           187           188           189           190 
      1  -0.171438D+00  0.215973D+02 -0.613464D+00 -0.246919D+02 -0.563289D+02
      2   0.782798D+00 -0.944680D+01  0.124982D+01 -0.844462D+01  0.323874D+02
      3  -0.611360D+00 -0.121505D+02 -0.636360D+00  0.331365D+02  0.239415D+02
      4   0.335231D+01  0.178559D+01  0.627858D+01 -0.173276D+01 -0.171769D+02
      5  -0.391320D+00 -0.110351D+01 -0.219559D+00  0.521384D+02  0.266048D+01
      6   0.715950D+01 -0.343092D+00  0.331211D+01  0.724387D+01  0.251826D+01
               191           192           193           194           195 
      1   0.151983D+02  0.184468D+01  0.629968D+01 -0.943200D+01 -0.752904D+00
      2  -0.152282D+02 -0.780370D+00 -0.720538D+01  0.931147D+01  0.161628D+01
      3   0.298635D-01 -0.106431D+01  0.905696D+00  0.120529D+00 -0.863373D+00
      4  -0.449569D+01  0.236610D+01  0.286267D+01 -0.236835D+00  0.220995D+01
      5   0.140531D+01 -0.159935D+01 -0.110990D+00  0.250298D+01  0.743322D+00
      6   0.359830D+00 -0.329594D+01  0.840282D+00  0.118329D+01  0.208474D+01
               196           197           198           199           200 
      1   0.366786D+01 -0.273334D+01 -0.523514D+01  0.235382D+01  0.190213D+01
      2  -0.119076D+01  0.329801D+01  0.213276D+01 -0.180820D+01  0.146857D+01
      3  -0.247711D+01 -0.564673D+00  0.310239D+01 -0.545618D+00 -0.337070D+01
      4   0.757147D+00  0.379826D+01  0.214771D+01  0.612354D+01  0.961374D+01
      5   0.163032D+01  0.309273D+01 -0.350040D+01 -0.105814D+02 -0.364096D+01
      6  -0.203815D+01  0.380574D+01 -0.145672D+01 -0.391436D+01 -0.203026D+01
               201           202           203           204           205 
      1  -0.710058D+01 -0.104929D+01 -0.583646D+00  0.260794D+01 -0.107795D+02
      2   0.557354D+01  0.263003D+01  0.214817D+01 -0.267220D+01  0.779609D+01
      3   0.152704D+01 -0.158074D+01 -0.156452D+01  0.642663D-01  0.298339D+01
      4  -0.569346D+01  0.615234D+01  0.681824D+01 -0.492584D+01 -0.928029D+01
      5   0.146846D+02 -0.374038D+00 -0.525681D+01  0.263590D+01  0.163046D+02
      6   0.568919D+01 -0.159915D+01 -0.291318D+01  0.754757D+01  0.776637D+01
               206           207           208           209           210 
      1   0.580936D+01 -0.648551D+01  0.131335D+02  0.962214D+01  0.536795D+01
      2  -0.546042D+01 -0.873604D+01  0.270640D+01  0.818817D+01  0.195641D+00
      3  -0.348949D+00  0.152215D+02 -0.158399D+02 -0.178103D+02 -0.556359D+01
      4  -0.138599D+02  0.172734D+02  0.273535D+02  0.350327D+02  0.860771D+01
      5   0.148276D+02 -0.506321D+02  0.796151D+01  0.614184D+01  0.901286D+01
      6   0.126354D+02 -0.290278D+02  0.516014D+01  0.491120D+01  0.617217D+01
               211           212           213           214           215 
      1   0.819495D+01 -0.323620D+01 -0.118819D+01  0.958643D+01 -0.206009D+01
      2   0.955097D+01  0.330674D+02  0.830993D+01 -0.370460D-03  0.129154D+02
      3  -0.177459D+02 -0.298312D+02 -0.712175D+01 -0.958606D+01 -0.108553D+02
      4   0.348554D+02  0.582615D+02  0.156560D+02  0.168054D+02  0.286455D+02
      5   0.672878D+01  0.141265D+02  0.104495D+02  0.115497D+02  0.145828D+02
      6   0.577345D+01  0.127459D+02  0.101631D+02  0.777607D+01  0.129369D+02
               216           217           218           219           220 
      1   0.101819D+01  0.272136D+02  0.101318D+01 -0.196187D+02  0.330022D+01
      2   0.277895D+01 -0.159488D+02 -0.341390D+00  0.109899D+02 -0.130880D+01
      3  -0.379714D+01 -0.112648D+02 -0.671790D+00  0.862884D+01 -0.199142D+01
      4   0.165109D+02  0.195800D+01  0.847672D+01  0.374062D+00  0.153656D+02
      5   0.887857D+01 -0.202839D+02  0.800879D+00  0.241590D+02  0.166634D+00
      6   0.816239D+01 -0.400718D+00  0.405389D+00  0.462846D+00 -0.966706D+00
               221           222           223           224           225 
      1   0.107164D+02  0.680596D+00 -0.504970D+02  0.184929D+01  0.308977D+02
      2  -0.544562D+01 -0.652374D+00  0.297211D+02 -0.158093D+01 -0.240390D+02
      3  -0.527082D+01 -0.282215D-01  0.207759D+02 -0.268362D+00 -0.685868D+01
      4  -0.173426D+01 -0.465605D+01 -0.436848D-01 -0.108101D+02  0.718896D+00
      5  -0.437254D+01  0.941890D+00  0.445507D+02 -0.376084D+00 -0.707448D+02
      6  -0.538220D+00  0.425953D+01  0.189108D+01  0.407892D+01 -0.239274D+01
               226           227           228           229           230 
      1   0.255492D+02 -0.200289D+02  0.101561D+02 -0.447200D+02  0.309665D+02
      2  -0.123670D+02  0.970498D+01 -0.552988D+01  0.221328D+02 -0.106733D+02
      3  -0.131822D+02  0.103239D+02 -0.462620D+01  0.225871D+02 -0.202932D+02
      4  -0.204497D+02  0.237538D+02 -0.709056D+01  0.420764D+02 -0.642001D+02
      5   0.119442D+02 -0.798364D+01  0.119422D+02 -0.155451D+02  0.250268D+02
      6  -0.260343D+01  0.205035D+01 -0.916977D+00  0.480658D+01 -0.733504D+01
               231           232           233           234           235 
      1  -0.953596D+01  0.211853D+02 -0.814930D+01  0.144007D+02  0.580012D+02
      2   0.600752D+01 -0.121732D+02  0.540295D+01 -0.104023D+02 -0.279386D+02
      3   0.352844D+01 -0.901204D+01  0.274635D+01 -0.399839D+01 -0.300626D+02
      4   0.233212D+02 -0.118294D+02  0.250860D+02 -0.147977D+02  0.334559D+02
      5  -0.198116D+02  0.223955D+02 -0.161813D+02  0.142611D+02  0.244563D+02
      6   0.588092D+01 -0.250448D+01  0.635424D+01 -0.433856D+01  0.546700D+01
               236           237           238           239           240 
      1   0.274401D+02  0.190398D+02  0.598523D+02  0.310916D+02  0.141651D+02
      2  -0.123097D+02 -0.101453D+02 -0.266264D+02 -0.918515D+01 -0.703599D+01
      3  -0.151305D+02 -0.889453D+01 -0.332260D+02 -0.219064D+02 -0.712910D+01
      4   0.281076D+02  0.123612D+02  0.484233D+02  0.438016D+02  0.226373D+02
      5   0.129083D+02  0.200849D+02  0.235784D+02  0.233533D+02  0.212903D+02
      6   0.327648D+01  0.294731D+01  0.758965D+01  0.762969D+01  0.678651D+01
               241           242           243           244           245 
      1   0.375780D+02  0.123136D+02  0.214662D+02  0.216729D+01  0.387296D+01
      2  -0.202360D+02 -0.602545D+01 -0.140197D+02 -0.377515D+01 -0.218364D+01
      3  -0.173420D+02 -0.628817D+01 -0.744643D+01  0.160786D+01 -0.168931D+01
      4   0.201866D+02  0.245328D+02  0.166629D+02  0.633017D+01  0.734728D+01
      5   0.340646D+02  0.171911D+02  0.210253D+02 -0.109540D+02 -0.290601D+01
      6   0.630391D+01  0.696549D+01  0.613681D+01 -0.451549D+01 -0.521222D+00
               246           247           248           249           250 
      1  -0.623906D+01  0.433506D+01 -0.109031D+00  0.197991D+01 -0.819522D+01
      2   0.462997D+01 -0.203569D+01  0.139821D+01 -0.170199D+01  0.763509D+01
      3   0.160909D+01 -0.229937D+01 -0.128918D+01 -0.277919D+00  0.560130D+00
      4  -0.378356D+01  0.109586D+02  0.707791D+01 -0.747420D+01 -0.630683D+01
      5   0.123325D+02 -0.397500D+01 -0.761754D+01  0.117572D+02  0.165617D+02
      6   0.261782D+01 -0.220082D+01 -0.627247D+01  0.842714D+01  0.446039D+01
               251           252           253           254           255 
      1   0.228930D+01 -0.440791D+01 -0.908353D+02 -0.102342D+02  0.634054D+01
      2   0.841564D+00 -0.931935D+01  0.452838D+02  0.137610D+02 -0.473529D+01
      3  -0.313086D+01  0.137273D+02  0.455515D+02 -0.352682D+01 -0.160525D+01
      4  -0.111560D+02  0.114421D+02 -0.147429D+02  0.270000D+02  0.115622D+02
      5   0.102174D+02 -0.360381D+02  0.109689D+02  0.864934D+01  0.154925D+02
      6   0.768672D+01 -0.132050D+02  0.894559D+01  0.712166D+01  0.564426D+01
               256           257           258           259           260 
      1   0.142010D+02  0.379678D+02  0.381889D+01  0.309691D+02  0.396088D+01
      2  -0.317921D+01 -0.410578D+02 -0.825869D+01 -0.133391D+02 -0.349323D+01
      3  -0.110218D+02  0.308995D+01  0.443980D+01 -0.176300D+02 -0.467653D+00
      4   0.309036D+02 -0.284683D+02  0.550237D+01  0.241315D+02  0.165158D+02
      5   0.142164D+02  0.829808D+01  0.195549D+02  0.228817D+02  0.212007D+02
      6   0.794022D+01 -0.425920D+01  0.670159D+01  0.100802D+02  0.910782D+01
               261           262           263           264           265 
      1   0.159046D+02  0.909104D+01 -0.104547D+02  0.337628D+01 -0.880391D+01
      2   0.593592D+01  0.155227D+01 -0.880774D+00 -0.325113D+00 -0.957453D+01
      3  -0.218405D+02 -0.106433D+02  0.113355D+02 -0.305117D+01  0.183784D+02
      4   0.246208D+02 -0.178001D+02  0.214964D+02 -0.513217D+01  0.353884D+02
      5  -0.179384D+02  0.657054D+01 -0.539047D+01  0.459219D+01 -0.988405D+01
      6  -0.250002D+01 -0.403088D+01  0.366834D+01 -0.180842D+01  0.725454D+01
               266           267           268           269           270 
      1  -0.241272D+01 -0.900926D-01  0.307674D+00  0.130692D+01 -0.500504D+00
      2   0.346866D+02 -0.606158D+01 -0.228271D+01  0.373386D+01  0.142567D+01
      3  -0.322739D+02  0.615167D+01  0.197503D+01 -0.504078D+01 -0.925166D+00
      4  -0.702448D+02  0.153348D+02  0.216967D+01 -0.402638D+01 -0.510683D+01
      5   0.165671D+02 -0.125386D+02  0.390743D+01 -0.519629D+01  0.560197D+01
      6  -0.155896D+02  0.860051D+01 -0.232573D+01  0.527286D+01 -0.352543D+01
               271           272           273           274           275 
      1   0.661488D+01  0.101414D+00  0.570255D+01 -0.705099D+01 -0.607295D+01
      2  -0.602781D+01 -0.114997D+01 -0.214198D+01  0.364050D+01  0.303929D+01
      3  -0.587071D+00  0.104856D+01 -0.356057D+01  0.341049D+01  0.303366D+01
      4  -0.866658D+00 -0.330905D+01 -0.348692D+00 -0.298255D+01 -0.292603D+01
      5   0.329197D+01 -0.173275D+01 -0.179172D+00 -0.456297D+01  0.366349D+01
      6  -0.392287D+00 -0.157250D+01 -0.127710D+01 -0.779972D+00 -0.261064D+00
               276           277           278           279           280 
      1  -0.317481D+00  0.104480D+02 -0.858281D-02 -0.119633D+02  0.136739D+03
      2   0.522743D+01 -0.700687D+01  0.465284D+01 -0.159901D+02 -0.643346D+02
      3  -0.490995D+01 -0.344114D+01 -0.464425D+01  0.279535D+02 -0.724040D+02
      4   0.406109D+01  0.483813D+01  0.900696D+01 -0.387673D+01  0.469588D+02
      5  -0.103665D+02  0.993188D+01 -0.279777D+01  0.439952D+02  0.123483D+02
      6   0.970974D+00  0.149233D+01  0.338838D+01  0.127551D+02  0.374171D+00
               281           282           283           284           285 
      1   0.128309D+02 -0.164360D+00 -0.490658D+01  0.721180D+01 -0.463835D+00
      2  -0.253233D+01 -0.855417D+00  0.529409D+01 -0.230511D-01  0.762732D+00
      3  -0.102986D+02  0.101978D+01 -0.387509D+00 -0.718874D+01 -0.298897D+00
      4   0.193010D+02  0.142802D+01  0.138542D+02  0.720720D+01 -0.861065D+00
      5   0.199652D+01  0.133421D+02 -0.133564D+01 -0.532071D+00 -0.197584D+01
      6   0.196197D+01  0.384838D+01  0.512553D+00  0.679329D+00  0.273599D+00
               286           287           288           289           290 
      1  -0.172929D+02 -0.207461D+01  0.898705D+01  0.150117D+01  0.147575D+02
      2   0.688557D+01  0.295415D-01 -0.663133D+01  0.222391D+01 -0.149334D+02
      3   0.104073D+02  0.204507D+01 -0.235572D+01 -0.372508D+01  0.175888D+00
      4  -0.781634D+01 -0.477378D+01  0.155449D+01  0.456264D+01 -0.791746D+01
      5   0.125641D+02 -0.245137D+00 -0.988330D-01 -0.175949D+01 -0.803704D+00
      6   0.334193D+01  0.741953D+00 -0.441732D+00 -0.414999D-01 -0.325413D+01
               291           292           293           294           295 
      1   0.638611D+00  0.115624D+02 -0.338145D+02 -0.341679D+01 -0.390437D+01
      2  -0.632004D+00 -0.415854D+01  0.558616D+02  0.367631D+01  0.689841D+00
      3  -0.660663D-02 -0.740381D+01 -0.220472D+02 -0.259526D+00  0.321453D+01
      4  -0.246228D+01  0.111713D+02  0.618730D+02  0.716209D+01 -0.315724D+01
      5  -0.282510D+01  0.304985D+01  0.446791D+01  0.717281D+01  0.912873D-01
      6  -0.246926D+01  0.467467D+00  0.125398D+02  0.776965D+01 -0.270891D+00
               296           297 
      1  -0.104334D+01 -0.573691D+01
      2  -0.154152D+01  0.412177D+01
      3   0.258485D+01  0.161514D+01
      4  -0.466155D+01  0.386536D+01
      5   0.469581D+01  0.237028D+01
      6   0.696291D+01  0.167215D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.697874D+00      0.177382D+01      0.591682D+01
   x          0.314295D+00      0.798859D+00      0.266471D+01
   y         -0.273839D+00     -0.696028D+00     -0.232170D+01
   z         -0.559695D+00     -0.142260D+01     -0.474529D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159807D+03      0.236809D+02      0.263486D+02
   aniso      0.735947D+02      0.109056D+02      0.121341D+02
   xx         0.207575D+03      0.307594D+02      0.342245D+02
   yx        -0.191561D+01     -0.283864D+00     -0.315841D+00
   yy         0.129422D+03      0.191783D+02      0.213388D+02
   zx        -0.116276D+00     -0.172304D-01     -0.191714D-01
   zy        -0.693532D+01     -0.102771D+01     -0.114348D+01
   zz         0.142424D+03      0.211050D+02      0.234825D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.174566D+03      0.258680D+02      0.287821D+02
   aniso      0.829936D+02      0.122984D+02      0.136838D+02
   xx         0.228662D+03      0.338842D+02      0.377012D+02
   yx        -0.253333D+01     -0.375401D+00     -0.417690D+00
   yy         0.140950D+03      0.208867D+02      0.232396D+02
   zx        -0.294830D+00     -0.436893D-01     -0.486109D-01
   zy        -0.718247D+01     -0.106433D+01     -0.118423D+01
   zz         0.154086D+03      0.228332D+02      0.254054D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.01113142         -0.48796070          2.68194430
     6          2.18577460          0.85921540          2.13610506
     6         -2.17298501         -0.22171621          1.22050069
     6         -2.20464242          1.41359539         -0.84375156
     6         -0.01251463          2.76120003         -1.39958082
     6          2.14316600          2.49281692          0.06992307
     6          4.55740417          0.51810717          3.66689604
     6          6.58407700         -1.11079587          2.35334701
     6          5.64182101         -3.79240573          1.85082645
     6          9.01212866         -1.13788945          3.91521417
     6         -4.54729734          1.75499155         -2.46941037
     6         -5.00549515         -0.62014795         -4.01224126
     8         -4.40222247         -0.89932027         -6.18587931
     8         -6.16276069         -2.46814925         -2.66942818
     1         -0.02734429         -1.77272989          4.27593174
     1         -3.83935618         -1.31172126          1.68212836
     1          0.00382418          4.03911533         -2.99853562
     1          3.81925624          3.57340864         -0.39658763
     1          4.09077003         -0.34668748          5.48595917
     1          5.37615292          2.36956171          4.08350734
     1          6.99942787         -0.22637568          0.52780470
     1          3.94906726         -3.79440587          0.67629834
     1          5.18272798         -4.74723111          3.62613111
     1          7.08598819         -4.91060593          0.89182207
     1          8.68084068         -1.99438356          5.76666274
     1          9.73060771          0.77200780          4.22417684
     1         10.48902195         -2.22990680          2.97567967
     1         -4.12653570          3.20224281         -3.87189263
     6         -6.87498291          2.55788381         -0.94305434
     1         -6.30826449         -3.91712988         -3.78230505
     1         -7.36543654          1.15237607          0.47584569
     1         -8.50749853          2.82104536         -2.17501837
     1         -6.48531872          4.33980441          0.01453393

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.697874D+00      0.177382D+01      0.591682D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.697874D+00      0.177382D+01      0.591682D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159807D+03      0.236809D+02      0.263486D+02
   aniso      0.735947D+02      0.109056D+02      0.121341D+02
   xx         0.192570D+03      0.285359D+02      0.317505D+02
   yx        -0.376469D+00     -0.557869D-01     -0.620713D-01
   yy         0.136818D+03      0.202744D+02      0.225583D+02
   zx         0.289520D+02      0.429025D+01      0.477355D+01
   zy        -0.108768D+02     -0.161178D+01     -0.179335D+01
   zz         0.150032D+03      0.222325D+02      0.247370D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.174566D+03      0.258680D+02      0.287821D+02
   aniso      0.829936D+02      0.122984D+02      0.136838D+02
   xx         0.211381D+03      0.313235D+02      0.348521D+02
   yx        -0.639381D+00     -0.947465D-01     -0.105420D+00
   yy         0.148540D+03      0.220113D+02      0.244909D+02
   zx         0.330656D+02      0.489982D+01      0.545178D+01
   zy        -0.112992D+02     -0.167437D+01     -0.186299D+01
   zz         0.163777D+03      0.242693D+02      0.270032D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-26\Freq\RB3LYP\Gen\C13H18O2\PIERPA\08-Sep-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,0.659259,-0.321312,-1.242193\C,1.490963,-0.745946,-0.2072
 37\C,-0.71809,-0.258894,-1.081887\C,-1.309776,-0.623337,0.1262\C,-0.48
 2719,-1.046352,1.164346\C,0.893763,-1.109729,0.998704\C,2.987238,-0.77
 5646,-0.362525\C,3.71048,0.390606,0.339713\C,3.287383,1.743851,-0.2283
 96\C,5.224362,0.20541,0.249886\C,-2.815068,-0.572574,0.328715\C,-3.274
 676,0.873485,0.381112\O,-3.494906,1.491243,1.389409\O,-3.402223,1.4289
 65,-0.848305\H,1.098199,-0.031355,-2.18932\H,-1.334062,0.086297,-1.901
 266\H,-0.922428,-1.331954,2.112188\H,1.513624,-1.448846,1.820517\H,3.2
 46499,-0.759051,-1.425314\H,3.374941,-1.715698,0.040233\H,3.424573,0.3
 63197,1.397105\H,2.212629,1.900857,-0.13376\H,3.544429,1.813495,-1.289
 511\H,3.795064,2.559094,0.290594\H,5.554471,0.218287,-0.792668\H,5.536
 289,-0.745777,0.686569\H,5.750693,1.005637,0.773849\H,-3.026818,-0.959
 937,1.324718\C,-3.586088,-1.398877,-0.707092\H,-3.660581,2.353748,-0.7
 11548\H,-3.40532,-1.038742,-1.718004\H,-4.660002,-1.355147,-0.518665\H
 ,-3.267355,-2.439875,-0.650623\\Version=ES64L-G16RevA.03\State=1-A\HF=
 -657.0227198\RMSD=8.859e-09\RMSF=9.027e-06\ZeroPoint=0.2842203\Thermal
 =0.2998988\Dipole=0.3142955,-0.2738385,-0.5596951\DipoleDeriv=-0.15080
 46,-0.0082758,-0.0520744,0.0190312,-0.0933736,-0.0662818,-0.0875628,-0
 .0489831,0.0646081,0.348853,0.0566299,-0.0126153,0.0057566,-0.0832189,
 -0.019248,-0.0276493,-0.0203914,-0.073515,-0.0683592,-0.0100919,0.0392
 349,-0.0256013,-0.0905414,-0.0506511,0.0572719,-0.0439171,-0.0027765,0
 .2837866,-0.1116687,-0.0090689,-0.0073393,-0.1431466,-0.0189323,-0.035
 4216,0.0026645,-0.0723305,-0.0663554,0.0182709,-0.0462971,0.014066,-0.
 0965477,-0.0501784,-0.0175225,-0.069258,0.0644307,-0.1393645,-0.042019
 4,0.0587623,-0.0519894,-0.089315,-0.0446098,0.1244821,-0.0573438,0.029
 6235,0.0097385,-0.0253645,-0.0338698,-0.1264208,0.0892325,-0.021951,-0
 .1373306,-0.0141053,0.1566111,0.1324597,0.0012483,0.0241679,0.1327581,
 0.144139,-0.0193798,0.1098611,-0.0102033,0.0800819,-0.000856,0.0463591
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 UNDER MOST GREENE GRASSE LY MOST GREATE SNAKES.
 -- PROVERBS AND REASONS OF THE YEAR 1585
           AS REPRINTED IN PAISLEY MAGAZINE 1828.
 Job cpu time:       0 days 21 hours 43 minutes 22.8 seconds.
 Elapsed time:       0 days  2 hours 43 minutes  6.6 seconds.
 File lengths (MBytes):  RWF=    703 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 15:12:46 2021.
